NP-MRD: Showing NP-Card for {2,3,4-trihydroxy-5-[(4-hydroxy-2-oxopyrimidin-1-yl)methyl]oxolan-2-yl}methoxyphosphonic acid (NP0303240)

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Record Information

Version

1.0

Created at

2022-09-10 17:26:04 UTC

Updated at

2022-09-10 17:26:04 UTC

NP-MRD ID

NP0303240

Secondary Accession Numbers

None

Natural Product Identification

Common Name

{2,3,4-trihydroxy-5-[(4-hydroxy-2-oxopyrimidin-1-yl)methyl]oxolan-2-yl}methoxyphosphonic acid

Description

({2,3,4-Trihydroxy-5-[(4-hydroxy-2-oxo-1,2-dihydropyrimidin-1-yl)methyl]oxolan-2-yl}methoxy)phosphonic acid belongs to the class of organic compounds known as pentose phosphates. {2,3,4-trihydroxy-5-[(4-hydroxy-2-oxopyrimidin-1-yl)methyl]oxolan-2-yl}methoxyphosphonic acid is found in Cicer arietinum. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups ({2,3,4-trihydroxy-5-[(4-hydroxy-2-oxo-1,2-dihydropyrimidin-1-yl)methyl]oxolan-2-yl}methoxy)phosphonic acid is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 38 39  0  0  0  0  0  0  0  0999 V2000
   -5.4456   -3.1043    0.5017 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6704   -2.1705    0.2356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6895   -2.3802   -0.6994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8286   -1.3201   -0.9850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9427   -0.1287   -0.3744 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0373    0.9252   -0.7009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8010    0.9397    0.1566 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0186   -0.1569   -0.0513 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2136    0.1772    0.5642 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1037   -0.2024    1.9135 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3330   -0.6082   -0.0339 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5456   -0.2832    0.5757 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8225   -1.1503   -0.0755 P   0  0  0  0  0  5  0  0  0  0  0  0
    6.1130   -0.4789    0.3684 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8097   -1.1374   -1.7637 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8750   -2.7355    0.5293 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3772    1.6574    0.4691 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5198    2.0620   -0.1932 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1086    2.0819   -0.2477 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3683    3.3009    0.2299 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8976    0.0501    0.5250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0786    1.1388    1.1491 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7455   -0.9501    0.8252 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5608   -3.3175   -1.2133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0542   -1.5214   -1.7386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5297    1.9261   -0.5585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6993    0.9107   -1.7628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0387    1.0744    1.2321 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6523    0.4763    2.4188 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1433   -1.6817    0.1699 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3883   -0.4834   -1.1450 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2387   -0.2828   -2.0448 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0959   -2.9409    1.1053 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3479    2.1425    1.4663 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3392    3.0041   -0.5094 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2993    2.0962   -1.3336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4422    3.9044   -0.5429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5153   -0.8333    1.5384 H   0  0  0  0  0  0  0  0  0  0  0  0
 20 19  1  0
 19  7  1  0
  7  6  1  0
  6  5  1  0
  5  4  1  0
  4  3  2  0
  3  2  1  0
  2  1  2  0
  2 23  1  0
 23 21  1  0
 21 22  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  1
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 15  1  0
 13 16  1  0
 13 14  2  0
  9 17  1  0
 17 18  1  0
 17 19  1  0
 21  5  1  0
 20 37  1  0
 19 36  1  6
  7 28  1  1
  6 26  1  0
  6 27  1  0
  4 25  1  0
  3 24  1  0
 23 38  1  0
 10 29  1  0
 11 30  1  0
 11 31  1  0
 15 32  1  0
 16 33  1  0
 17 34  1  1
 18 35  1  0
M  END


  Mrv1533004241511102D          

 23 24  0  0  0  0            999 V2000
    0.2897   -3.2361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1953   -2.5687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0203   -2.5687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5052   -3.2361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1696   -3.9898    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3491   -4.0760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0136   -4.8297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4985   -5.4971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1630   -6.2508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3190   -5.4109    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6546   -4.6572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4750   -4.5710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2752   -1.7840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6078   -1.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1598   -0.6860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0557   -0.6860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7512   -0.8575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3033   -0.2444    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.8553    0.3686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9164   -0.7965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6902    0.3076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0597   -1.7840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8443   -1.5291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  2  0  0  0  0
  3 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 14 22  1  0  0  0  0
  2 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0303240

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OC1C(CN2C=CC(=O)NC2=O)OC(O)(COP(O)(O)=O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C10H15N2O10P/c13-6-1-2-12(9(16)11-6)3-5-7(14)8(15)10(17,22-5)4-21-23(18,19)20/h1-2,5,7-8,14-15,17H,3-4H2,(H,11,13,16)(H2,18,19,20)

> <INCHI_KEY>
LJGCKWPHBRQGPT-UHFFFAOYSA-N

> <FORMULA>
C10H15N2O10P

> <MOLECULAR_WEIGHT>
354.208

> <EXACT_MASS>
354.046431689

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
38

> <JCHEM_AVERAGE_POLARIZABILITY>
28.937429590593794

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
({5-[(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)methyl]-2,3,4-trihydroxyoxolan-2-yl}methoxy)phosphonic acid

> <ALOGPS_LOGP>
-1.88

> <JCHEM_LOGP>
-2.9946032149999993

> <ALOGPS_LOGS>
-1.47

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
6.189838920395699

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.1614174182430226

> <JCHEM_PKA_STRONGEST_BASIC>
-3.67210083384159

> <JCHEM_POLAR_SURFACE_AREA>
186.08999999999997

> <JCHEM_REFRACTIVITY>
69.83840000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.20e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
{5-[(2,4-dioxo-3H-pyrimidin-1-yl)methyl]-2,3,4-trihydroxyoxolan-2-yl}methoxyphosphonic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 24-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-APR-15         0                                  
HETATM    1  O   UNK     0       0.541  -6.041   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      -0.364  -4.795   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.904  -4.795   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -2.810  -6.041   0.000  0.00  0.00           C+0
HETATM    5  N   UNK     0      -2.183  -7.448   0.000  0.00  0.00           N+0
HETATM    6  C   UNK     0      -0.652  -7.609   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -0.025  -9.015   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -0.931 -10.261   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      -0.304 -11.668   0.000  0.00  0.00           O+0
HETATM   10  N   UNK     0      -2.462 -10.100   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0      -3.088  -8.693   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      -4.620  -8.532   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0      -2.380  -3.330   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      -1.134  -2.425   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      -2.165  -1.281   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      -0.104  -1.281   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       1.402  -1.601   0.000  0.00  0.00           O+0
HETATM   18  P   UNK     0       2.433  -0.456   0.000  0.00  0.00           P+0
HETATM   19  O   UNK     0       3.463   0.688   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       3.577  -1.487   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0       1.288   0.574   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       0.111  -3.330   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       1.576  -2.854   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   22                                                  
CONECT    3    2    4   13                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   11                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11                                                       
CONECT   11   10    5   12                                                  
CONECT   12   11                                                            
CONECT   13    3   14                                                       
CONECT   14   13   15   16   22                                             
CONECT   15   14                                                            
CONECT   16   14   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19   20   21                                             
CONECT   19   18                                                            
CONECT   20   18                                                            
CONECT   21   18                                                            
CONECT   22   14    2   23                                                  
CONECT   23   22                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   48    0
END

View in JSmol

Synonyms

Value	Source
({2,3,4-trihydroxy-5-[(4-hydroxy-2-oxo-1,2-dihydropyrimidin-1-yl)methyl]oxolan-2-yl}methoxy)phosphonate	Generator

Chemical Formula

C₁₀H₁₅N₂O₁₀P

Average Mass

354.2080 Da

Monoisotopic Mass

354.04643 Da

IUPAC Name

({5-[(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)methyl]-2,3,4-trihydroxyoxolan-2-yl}methoxy)phosphonic acid

Traditional Name

{5-[(2,4-dioxo-3H-pyrimidin-1-yl)methyl]-2,3,4-trihydroxyoxolan-2-yl}methoxyphosphonic acid

CAS Registry Number

Not Available

SMILES

OC1C(CN2C=CC(=O)NC2=O)OC(O)(COP(O)(O)=O)C1O

InChI Identifier

InChI=1S/C10H15N2O10P/c13-6-1-2-12(9(16)11-6)3-5-7(14)8(15)10(17,22-5)4-21-23(18,19)20/h1-2,5,7-8,14-15,17H,3-4H2,(H,11,13,16)(H2,18,19,20)

InChI Key

LJGCKWPHBRQGPT-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Cicer arietinum	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Pentose phosphates

Alternative Parents

Substituents

Pentose phosphate
Pentose-5-phosphate
C-glycosyl compound
Glycosyl compound
Monosaccharide phosphate
Hydroxypyrimidine
Pyrimidone
Monoalkyl phosphate
Hydropyrimidine
Organic phosphoric acid derivative
Phosphoric acid ester
Pyrimidine
Alkyl phosphate
Heteroaromatic compound
Tetrahydrofuran
1,2-diol
Hemiacetal
Secondary alcohol
Oxacycle
Polyol
Azacycle
Organoheterocyclic compound
Organic nitrogen compound
Hydrocarbon derivative
Organonitrogen compound
Alcohol
Organic oxide
Organopnictogen compound
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	-1.9	ALOGPS
logP	-3	ChemAxon
logS	-1.5	ALOGPS
pKa (Strongest Acidic)	1.16	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	186.09 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	69.84 m³·mol⁻¹	ChemAxon
Polarizability	28.94 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

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HMDB ID

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References

General References

LOTUS database [Link]

Showing NP-Card for {2,3,4-trihydroxy-5-[(4-hydroxy-2-oxopyrimidin-1-yl)methyl]oxolan-2-yl}methoxyphosphonic acid (NP0303240)

MOL for NP0303240 ({2,3,4-trihydroxy-5-[(4-hydroxy-2-oxopyrimidin-1-yl)methyl]oxolan-2-yl}methoxyphosphonic acid)

3D MOL for NP0303240 ({2,3,4-trihydroxy-5-[(4-hydroxy-2-oxopyrimidin-1-yl)methyl]oxolan-2-yl}methoxyphosphonic acid)

3D SDF for NP0303240 ({2,3,4-trihydroxy-5-[(4-hydroxy-2-oxopyrimidin-1-yl)methyl]oxolan-2-yl}methoxyphosphonic acid)

3D-SDF for NP0303240 ({2,3,4-trihydroxy-5-[(4-hydroxy-2-oxopyrimidin-1-yl)methyl]oxolan-2-yl}methoxyphosphonic acid)

PDB for NP0303240 ({2,3,4-trihydroxy-5-[(4-hydroxy-2-oxopyrimidin-1-yl)methyl]oxolan-2-yl}methoxyphosphonic acid)

3D PDB for NP0303240 ({2,3,4-trihydroxy-5-[(4-hydroxy-2-oxopyrimidin-1-yl)methyl]oxolan-2-yl}methoxyphosphonic acid)

SMILES for NP0303240 ({2,3,4-trihydroxy-5-[(4-hydroxy-2-oxopyrimidin-1-yl)methyl]oxolan-2-yl}methoxyphosphonic acid)

INCHI for NP0303240 ({2,3,4-trihydroxy-5-[(4-hydroxy-2-oxopyrimidin-1-yl)methyl]oxolan-2-yl}methoxyphosphonic acid)

Structure for NP0303240 ({2,3,4-trihydroxy-5-[(4-hydroxy-2-oxopyrimidin-1-yl)methyl]oxolan-2-yl}methoxyphosphonic acid)

3D Structure for NP0303240 ({2,3,4-trihydroxy-5-[(4-hydroxy-2-oxopyrimidin-1-yl)methyl]oxolan-2-yl}methoxyphosphonic acid)