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Showing NP-Card for (+)-glucose (NP0321223)

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Record Information
Version1.0
Created at2022-09-11 23:19:27 UTC
Updated at2022-09-11 23:19:27 UTC
NP-MRD IDNP0321223
Secondary Accession NumbersNone
Natural Product Identification
Common Name(+)-glucose
DescriptionD-glucose, also known as dextrose, belongs to the class of organic compounds known as hexoses. These are monosaccharides in which the sugar unit is a is a six-carbon containing moeity. Blood glucose is an obligatory energy source for humans involved in various cellular activities, and it also acts as a signaling molecule for diverse glucose-sensing molecules and proteins. Glycolysis is the initial stage of glucose metabolism where one glucose molecule is degraded into two molecules of pyruvate via substrate-level phosphorylation. D-glucose is an extremely weak basic (essentially neutral) compound (based on its pKa). In humans, D-glucose is involved in the metabolic disorder called the glycogenosis, type III. Cori disease, debrancher glycogenosis pathway. These energy-producing reactions of glucose are limited to D-glucose as L-glucose cannot be phosphorylated by hexokinase. (+)-glucose is found in Actinidia polygama, Adesmia bicolor, Allium cepa, Allium obliquum, Allium suworowii, Aloe vera, Alstroemeria revoluta, Anethum graveolens, Annona squamosa, Anoectochilus formosanus, Arachis hypogaea, Arbutus unedo, Aristolochia tomentosa, Ascoseira mirabilis, Astragalus hamosus, Bryonia alba, Buddleja cordata, Buddleja parviflora, Cajanus cajan, Castela tortuosa, Catharanthus roseus, Cephalanthus occidentalis, Cichorium intybus, Codonopsis pilosula, Colchicum schimperi, Coriandrum sativum, Cucumis sativus, Cucurbita foetidissima, Daphnia magna, Daucus carota, Diplopanax stachyanthus, Duranta erecta, Elliottia paniculata, Euphorbia helioscopia, Euphorbia macroclada, Foeniculum vulgare, Fragaria ananassa, Gastrodia elata, Gentianopsis thermalis, Gloriosa superba, Glycyrrhiza glabra, Gossypium hirsutum, Helianthus annuus, Himantormia lugubris, Hoya carnosa, Hypericum perforatum, Jacaranda mimosifolia, Juncus effusus, Koenigia coriaria, Lantana strigocamara, Levisticum officinale, Maclura pomifera, Manihot esculenta, Medicago lupulina, Mimusops elengi, Momordica cochinchinensis, Morinda citrifolia, Mus musculus, Nicotiana tabacum, Olea europaea, Olearia paniculata, Oligomeris linifolia, Osmanthus fortunei, Osmanthus heterophyllus, Paeonia peregrina, Panax ginseng, Panax quinquefolius, Passiflora foetida, Passiflora oerstedii, Penicillium chrysogenum, Phaseolus lunatus, Aronia melanocarpa, Phyllostachys edulis, Pisum sativum, Planchonella vitiensis, Plinia cauliflora, Poa huecu, Pogostemon cablin, Poraqueiba guianensis, Prunus avium, Prunus laurocerasus, Prunus persica, Psidium guajava, Pyrus communis, Ramalina fraxinea, Rehmannia glutinosa, Rhus chinensis, Salacia oblonga, Salacia reticulata, Salsola collina, Salvia tomentosa, Salvia trijuga, Schleichera oleosa, Siraitia grosvenorii, Swertia pubescens, Tamarix aphylla, Tecoma stans, Telekia speciosa, Tetrapleura tetraptera, Thalictrum aquilegiifolium, Theobroma cacao, Thymus transcaucasicus, Tillandsia usneoides, Tragopogon orientalis, Trichosanthes kirilowii, Tulipa turkestanica, Turnera diffusa, Vigna subterranea, Vitis vinifera, Xylocarpus granatum, Zanthoxylum piperitum and Ziziphus spina-christi. The administration of glucose infusions can cause fluid and solute overloading resulting in dilution of the serum electrolyte concentrations, overhydration, congested states, or pulmonary edema.
Structure
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MOL3D MOLSDFPDBSMILESInChI

MOL for NP0321223 ((+)-glucose)


  Mrv0541 05041404392D          

 16 15  0  0  1  0            999 V2000
    0.5230    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0954    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3809    1.1270    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9520    1.1270    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6664    0.7145    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1914    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8099    1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.1105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809    1.9520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    1.9520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664   -0.1105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    1.5395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809    0.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    0.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664    1.5395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  2  0  0  0  0
  8  2  1  0  0  0  0
  3  9  1  6  0  0  0
  4 10  1  1  0  0  0
  5 11  1  6  0  0  0
  6 12  1  6  0  0  0
  3 13  1  6  0  0  0
  4 14  1  1  0  0  0
  5 15  1  6  0  0  0
  6 16  1  6  0  0  0
M  END
Download

3D MOL for NP0321223 ((+)-glucose)

     RDKit          3D

 24 23  0  0  0  0  0  0  0  0999 V2000
    3.1775    1.7723    0.2736 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3157    1.0332    0.7187 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0806   -0.2597    0.1448 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1797   -0.5231   -0.7589 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8787   -0.5319   -0.6801 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0828   -1.9333   -1.0543 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4655   -0.5543   -0.0591 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2742   -1.1882   -1.1022 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1747    0.7966    0.0227 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7012    1.6516    0.9538 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6844    0.5565    0.1725 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9830    0.0176    1.4172 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7683    1.4189    1.5525 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2363   -1.0457    0.9341 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5401    0.3461   -1.0711 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500   -0.0012   -1.6360 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8515   -2.4250   -0.2131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6148   -1.1462    0.8280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4732   -2.1015   -0.8305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0954    1.3031   -0.9879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2298    2.4065    0.5433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1918    1.5317    0.0043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0483   -0.1520   -0.5855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0249   -0.9719    1.4129 H   0  0  0  0  0  0  0  0  0  0  0  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
  9  7  1  0
  7  8  1  0
  7  5  1  0
  5  6  1  0
  5  3  1  0
  3  4  1  0
  3  2  1  0
  2  1  2  0
  9 20  1  6
 10 21  1  0
 11 22  1  0
 11 23  1  0
 12 24  1  0
  7 18  1  1
  8 19  1  0
  5 16  1  6
  6 17  1  0
  3 14  1  1
  4 15  1  0
  2 13  1  0
M  END
Download

3D SDF for NP0321223 ((+)-glucose)


  Mrv0541 05041404392D          

 16 15  0  0  1  0            999 V2000
    0.5230    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0954    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3809    1.1270    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9520    1.1270    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6664    0.7145    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1914    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8099    1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.1105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809    1.9520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    1.9520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664   -0.1105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    1.5395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809    0.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    0.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664    1.5395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  2  0  0  0  0
  8  2  1  0  0  0  0
  3  9  1  6  0  0  0
  4 10  1  1  0  0  0
  5 11  1  6  0  0  0
  6 12  1  6  0  0  0
  3 13  1  6  0  0  0
  4 14  1  1  0  0  0
  5 15  1  6  0  0  0
  6 16  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0321223

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)C=O

> <INCHI_IDENTIFIER>
InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5+,6+/m0/s1

> <INCHI_KEY>
GZCGUPFRVQAUEE-SLPGGIOYSA-N

> <FORMULA>
C6H12O6

> <MOLECULAR_WEIGHT>
180.1559

> <EXACT_MASS>
180.063388116

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_AVERAGE_POLARIZABILITY>
16.233020926173957

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal

> <ALOGPS_LOGP>
-2.41

> <JCHEM_LOGP>
-3.5683605629999993

> <ALOGPS_LOGS>
0.16

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.026745136455522

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.800943217723058

> <JCHEM_PKA_STRONGEST_BASIC>
-2.974219876255926

> <JCHEM_POLAR_SURFACE_AREA>
118.22000000000001

> <JCHEM_REFRACTIVITY>
37.3456

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.61e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(+)-glucose

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for NP0321223 ((+)-glucose)

Download
PDB for NP0321223 ((+)-glucose)
HEADER    PROTEIN                                 04-MAY-14   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-MAY-14         0                                  
HETATM    1  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   13  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
HETATM   14  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
HETATM   15  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
HETATM   16  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
CONECT    1    3    7                                                       
CONECT    2    4    8                                                       
CONECT    3    1    5    9   13                                             
CONECT    4    2    6   10   14                                             
CONECT    5    3    6   11   15                                             
CONECT    6    4    5   12   16                                             
CONECT    7    1                                                            
CONECT    8    2                                                            
CONECT    9    3                                                            
CONECT   10    4                                                            
CONECT   11    5                                                            
CONECT   12    6                                                            
CONECT   13    3                                                            
CONECT   14    4                                                            
CONECT   15    5                                                            
CONECT   16    6                                                            
MASTER        0    0    0    0    0    0    0    0   16    0   30    0
END

Download
3D PDB for NP0321223 ((+)-glucose)
Download
SMILES for NP0321223 ((+)-glucose)
[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)C=O
Download
INCHI for NP0321223 ((+)-glucose)
InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5+,6+/m0/s1
Download
View in JSmol
Synonyms
ValueSource
(2R,3S,4R,5R)-2,3,4,5,6-PentahydroxyhexanalChEBI
D(+)-GlucoseChEBI
D-GLUCOSE in linear formChEBI
DextroseChEBI
GlucoseChEBI
D-GlucoseChEBI
Dextrose, anhydrousMeSH
Glucose monohydrateMeSH
Glucose, (alpha-D)-isomerMeSH
L-GlucoseMeSH
D GlucoseMeSH
Glucose, (beta-D)-isomerMeSH
Anhydrous dextroseMeSH
Glucose, (DL)-isomerMeSH
L GlucoseMeSH
Glucose, (L)-isomerMeSH
Monohydrate, glucoseMeSH
Chemical FormulaC6H12O6
Average Mass180.1559 Da
Monoisotopic Mass180.06339 Da
IUPAC Name(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
Traditional Name(+)-glucose
CAS Registry NumberNot Available
SMILES
[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)C=O
InChI Identifier
InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5+,6+/m0/s1
InChI KeyGZCGUPFRVQAUEE-SLPGGIOYSA-N
Experimental Spectra
Not Available
Predicted Spectra
Spectrum TypeDescriptionDepositor IDDepositor OrganizationDepositorDeposition DateView
1D NMR13C NMR Spectrum (1D, 25 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 100 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 252 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 1000 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 50 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 200 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 75 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 300 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 101 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 400 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 126 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 500 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 151 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 600 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 176 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 700 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 201 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 800 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 226 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 900 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
Actinidia polygamaLOTUS Database
Adesmia bicolorLOTUS Database
Allium cepaLOTUS Database
Allium obliquumLOTUS Database
Allium suworowiiLOTUS Database
Aloe veraLOTUS Database
Alstroemeria revolutaLOTUS Database
Anethum graveolensLOTUS Database
Annona squamosaLOTUS Database
Anoectochilus formosanusLOTUS Database
Arachis hypogaeaLOTUS Database
Arbutus unedoLOTUS Database
Aristolochia tomentosaLOTUS Database
Ascoseira mirabilisLOTUS Database
Astragalus hamosusLOTUS Database
Bryonia albaLOTUS Database
Buddleja cordataLOTUS Database
Buddleja parvifloraLOTUS Database
Cajanus cajanLOTUS Database
Castela tortuosaLOTUS Database
Catharanthus roseusLOTUS Database
Cephalanthus occidentalisLOTUS Database
Cichorium intybusLOTUS Database
Codonopsis pilosulaLOTUS Database
Colchicum schimperiLOTUS Database
Coriandrum sativumLOTUS Database
Cucumis sativusLOTUS Database
Cucurbita foetidissimaLOTUS Database
Daphnia magnaLOTUS Database
Daucus carotaLOTUS Database
Diplopanax stachyanthusLOTUS Database
Duranta erectaLOTUS Database
Elliottia paniculataLOTUS Database
Euphorbia helioscopiaLOTUS Database
Euphorbia macrocladaLOTUS Database
Foeniculum vulgareLOTUS Database
Fragaria x ananassaLOTUS Database
Gastrodia elataLOTUS Database
Gentianopsis thermalisLOTUS Database
Gloriosa superbaLOTUS Database
Glycyrrhiza glabraLOTUS Database
Gossypium hirsutumLOTUS Database
Helianthus annuusLOTUS Database
Himantormia lugubrisLOTUS Database
Hoya carnosaLOTUS Database
Hypericum perforatumLOTUS Database
Jacaranda mimosifoliaLOTUS Database
Juncus effususLOTUS Database
Koenigia coriariaLOTUS Database
Lantana strigocamaraLOTUS Database
Levisticum officinaleLOTUS Database
Maclura pomiferaLOTUS Database
Manihot esculentaLOTUS Database
Medicago lupulinaLOTUS Database
Mimusops elengiLOTUS Database
Momordica cochinchinensisLOTUS Database
Morinda citrifoliaLOTUS Database
Mus musculusLOTUS Database
Nicotiana tabacumLOTUS Database
Olea europaeaLOTUS Database
Olearia paniculataLOTUS Database
Oligomeris linifoliaLOTUS Database
Osmanthus fortuneiLOTUS Database
Osmanthus heterophyllusLOTUS Database
Paeonia peregrinaLOTUS Database
Panax ginsengLOTUS Database
Panax quinquefoliusLOTUS Database
Passiflora foetidaLOTUS Database
Passiflora oerstediiLOTUS Database
Penicillium chrysogenumLOTUS Database
Phaseolus lunatusLOTUS Database
Photinia melanocarpaLOTUS Database
Phyllostachys edulisLOTUS Database
Pisum sativumLOTUS Database
Planchonella vitiensisLOTUS Database
Plinia caulifloraLOTUS Database
Poa huecuLOTUS Database
Pogostemon cablinLOTUS Database
Poraqueiba guianensisLOTUS Database
Prunus aviumLOTUS Database
Prunus laurocerasusLOTUS Database
Prunus persicaLOTUS Database
Psidium guajavaLOTUS Database
Pyrus communisLOTUS Database
Ramalina fraxineaLOTUS Database
Rehmannia glutinosaLOTUS Database
Rhus chinensisLOTUS Database
Salacia oblongaLOTUS Database
Salacia reticulataLOTUS Database
Salsola collinaLOTUS Database
Salvia tomentosaLOTUS Database
Salvia trijugaLOTUS Database
Schleichera oleosaLOTUS Database
Siraitia grosvenoriiLOTUS Database
Swertia pubescensLOTUS Database
Tamarix aphyllaLOTUS Database
Tecoma stansLOTUS Database
Telekia speciosaLOTUS Database
Tetrapleura tetrapteraLOTUS Database
Thalictrum aquilegifoliumLOTUS Database
Theobroma cacaoLOTUS Database
Thymus transcaucasicusLOTUS Database
Tillandsia usneoidesLOTUS Database
Tragopogon orientalisLOTUS Database
Trichosanthes kirilowiiLOTUS Database
Tulipa turkestanicaLOTUS Database
Turnera diffusaLOTUS Database
Vigna subterraneaLOTUS Database
Vitis viniferaLOTUS Database
Xylocarpus granatumLOTUS Database
Zanthoxylum piperitumLOTUS Database
Ziziphus spina-christiLOTUS Database
Chemical Taxonomy
Description Belongs to the class of organic compounds known as hexoses. These are monosaccharides in which the sugar unit is a is a six-carbon containing moeity.
KingdomOrganic compounds  
Super ClassOrganic oxygen compounds  
ClassOrganooxygen compounds  
Sub ClassCarbohydrates and carbohydrate conjugates  
Direct ParentHexoses  
Alternative Parents
Substituents
  • Hexose monosaccharide
    • 

  • Medium-chain aldehyde
    • 

  • Beta-hydroxy aldehyde
    • 

  • Alpha-hydroxyaldehyde
    • 

  • Secondary alcohol
    • 

  • Polyol
    • 

  • Organic oxide
    • 

  • Hydrocarbon derivative
    • 

  • Primary alcohol
    • 

  • Carbonyl group
    • 

  • Aldehyde
    • 

  • Alcohol
    • 

  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP-2.4ALOGPS
logP-3.6ChemAxon
logS0.16ALOGPS
pKa (Strongest Acidic)11.8ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area118.22 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity37.35 m³·mol⁻¹ChemAxon
Polarizability16.23 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
HMDB IDNot Available
DrugBank IDDB01914  
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkGlucose  
METLIN IDNot Available
PubChem Compound107526  
PDB IDNot Available
ChEBI ID42758  
Good Scents IDNot Available
References
General References
  1. LOTUS database [Link]