NP-MRD: Showing NP-Card for [4-hydroxy-2-(6-hydroxy-2-imino-3h-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxyphosphonic acid (NP0235760)

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Record Information

Version

2.0

Created at

2022-09-06 18:29:14 UTC

Updated at

2022-09-06 18:29:14 UTC

NP-MRD ID

NP0235760

Secondary Accession Numbers

None

Natural Product Identification

Common Name

[4-hydroxy-2-(6-hydroxy-2-imino-3h-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxyphosphonic acid

Description

{[4-Hydroxy-2-(6-hydroxy-2-imino-3,9-dihydro-2H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxy}phosphonic acid 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. [4-hydroxy-2-(6-hydroxy-2-imino-3h-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxyphosphonic acid is found in Helianthus tuberosus. {[4-Hydroxy-2-(6-hydroxy-2-imino-3,9-dihydro-2H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxy}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 40  0  0  0  0  0  0  0  0999 V2000
    4.8023   -0.5851    1.4135 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9741    0.1837    0.5265 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6656   -0.1517    0.4299 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8360    0.5196   -0.3754 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3810    1.5629   -1.0958 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3646    2.0894   -1.8333 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2273    1.4136   -1.5938 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5319    0.4564   -0.6999 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3760   -0.5190   -0.1417 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5449   -1.6015   -0.9996 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6983   -2.2496   -0.6210 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4282   -3.2779    0.4703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5301   -4.1973   -0.0327 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6819   -1.2055   -0.1526 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.6563   -0.9216   -1.1034 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7581   -0.0041    0.0745 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9593    0.4941    1.3745 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5929    2.0656    1.3108 P   0  0  0  0  0  5  0  0  0  0  0  0
   -3.8542    2.1734    2.1348 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4150    3.1284    1.8544 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9567    2.4452   -0.2995 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7142    1.9127   -1.0042 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1595    2.8775   -1.6873 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4950    1.1989   -0.1772 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7520   -0.2462    1.6635 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4740   -1.4748    1.8127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7688    1.5455   -1.9933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0025   -0.9193    0.8307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1357   -2.7283   -1.5257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3782   -3.7137    0.8085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9912   -2.7273    1.3278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7619   -5.1383    0.1585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1873   -1.4653    0.7869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2430   -0.4685   -1.9015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0680    0.7652   -0.6276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4536    4.0207    1.3866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4501    3.2931   -0.3484 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5150    1.4488   -0.0921 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 11 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 20  1  0
 18 21  1  0
 18 19  2  0
  5 22  1  0
 22 23  2  0
 22 24  1  0
 24  2  1  0
  8  4  1  0
 16  9  1  0
  1 25  1  0
  1 26  1  0
  7 27  1  0
  9 28  1  1
 11 29  1  6
 12 30  1  0
 12 31  1  0
 13 32  1  0
 14 33  1  1
 15 34  1  0
 16 35  1  6
 20 36  1  0
 21 37  1  0
 24 38  1  0
M  END


  Mrv1533004171510202D          

 24 26  0  0  0  0            999 V2000
    2.7845    0.6979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.6979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435    2.1904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6284    1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435    0.8555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3984    0.0709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0865   -0.5966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3984   -1.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -2.0486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6635   -2.2201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1831   -1.0091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8505   -1.4940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1831   -0.1841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8505    0.3009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7643    1.1213    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9438    1.0351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5848    1.2076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6780    1.9418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    3.1729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701    1.9354    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  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
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
  9 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
  5 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
  2 24  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0235760

> <DATABASE_NAME>
NP-MRD

> <SMILES>
NC1=NC2=C(N=CN2C2OC(CO)C(O)C2OP(O)(O)=O)C(=O)N1

> <INCHI_IDENTIFIER>
InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(23-24(19,20)21)5(17)3(1-16)22-9/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)

> <INCHI_KEY>
WTIFIAZWCCBCGE-UHFFFAOYSA-N

> <FORMULA>
C10H14N5O8P

> <MOLECULAR_WEIGHT>
363.223

> <EXACT_MASS>
363.057999429

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
38

> <JCHEM_AVERAGE_POLARIZABILITY>
30.39259321110382

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{[2-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy}phosphonic acid

> <ALOGPS_LOGP>
-1.95

> <JCHEM_LOGP>
-3.4059722388484612

> <ALOGPS_LOGS>
-2.01

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
5.716907621691872

> <JCHEM_PKA_STRONGEST_ACIDIC>
0.8849547942723577

> <JCHEM_PKA_STRONGEST_BASIC>
0.2433668886468322

> <JCHEM_POLAR_SURFACE_AREA>
201.74999999999997

> <JCHEM_REFRACTIVITY>
75.49399999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.56e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
guanosine-2'-monophosphate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 17-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   17-APR-15         0                                  
HETATM    1  N   UNK     0       5.198   1.303   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0       3.864   2.073   0.000  0.00  0.00           C+0
HETATM    3  N   UNK     0       2.530   1.303   0.000  0.00  0.00           N+0
HETATM    4  C   UNK     0       1.197   2.073   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.197   3.613   0.000  0.00  0.00           C+0
HETATM    6  N   UNK     0      -0.268   4.089   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0      -1.173   2.843   0.000  0.00  0.00           C+0
HETATM    8  N   UNK     0      -0.268   1.597   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0      -0.744   0.132   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       0.161  -1.114   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      -0.744  -2.359   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -0.268  -3.824   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       1.238  -4.144   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      -2.208  -1.884   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      -3.454  -2.789   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      -2.208  -0.344   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      -3.454   0.562   0.000  0.00  0.00           O+0
HETATM   18  P   UNK     0      -3.293   2.093   0.000  0.00  0.00           P+0
HETATM   19  O   UNK     0      -1.762   1.932   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      -4.825   2.254   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0      -3.132   3.625   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       2.530   4.383   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       2.530   5.923   0.000  0.00  0.00           O+0
HETATM   24  N   UNK     0       3.864   3.613   0.000  0.00  0.00           N+0
CONECT    1    2                                                            
CONECT    2    1    3   24                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    8                                                  
CONECT    5    4    6   22                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    4    9                                                  
CONECT    9    8   10   16                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   14                                                  
CONECT   12   11   13                                                       
CONECT   13   12                                                            
CONECT   14   11   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14    9   17                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19   20   21                                             
CONECT   19   18                                                            
CONECT   20   18                                                            
CONECT   21   18                                                            
CONECT   22    5   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22    2                                                       
MASTER        0    0    0    0    0    0    0    0   24    0   52    0
END

View in JSmol

Synonyms

Value	Source
{[4-hydroxy-2-(6-hydroxy-2-imino-3,9-dihydro-2H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxy}phosphonate	Generator

Chemical Formula

C₁₀H₁₄N₅O₈P

Average Mass

363.2230 Da

Monoisotopic Mass

363.05800 Da

IUPAC Name

{[2-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy}phosphonic acid

Traditional Name

guanosine-2'-monophosphate

CAS Registry Number

Not Available

SMILES

NC1=NC2=C(N=CN2C2OC(CO)C(O)C2OP(O)(O)=O)C(=O)N1

InChI Identifier

InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(23-24(19,20)21)5(17)3(1-16)22-9/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)

InChI Key

WTIFIAZWCCBCGE-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
Helianthus tuberosus	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
Glycosyl compound
N-glycosyl compound
6-oxopurine
Hypoxanthine
Imidazopyrimidine
Purine
Aminopyrimidine
Monoalkyl phosphate
Pyrimidone
N-substituted imidazole
Organic phosphoric acid derivative
Alkyl phosphate
Phosphoric acid ester
Pyrimidine
Azole
Heteroaromatic compound
Imidazole
Vinylogous amide
Tetrahydrofuran
Secondary alcohol
Organoheterocyclic compound
Azacycle
Oxacycle
Organonitrogen compound
Amine
Alcohol
Hydrocarbon derivative
Organic oxide
Organic nitrogen compound
Organopnictogen compound
Primary alcohol
Primary amine
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic 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	-2	ALOGPS
logP	-3.4	ChemAxon
logS	-2	ALOGPS
pKa (Strongest Acidic)	0.88	ChemAxon
pKa (Strongest Basic)	0.24	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	201.75 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	75.49 m³·mol⁻¹	ChemAxon
Polarizability	30.39 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

3525

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for [4-hydroxy-2-(6-hydroxy-2-imino-3h-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxyphosphonic acid (NP0235760)

MOL for NP0235760 ([4-hydroxy-2-(6-hydroxy-2-imino-3h-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxyphosphonic acid)

3D MOL for NP0235760 ([4-hydroxy-2-(6-hydroxy-2-imino-3h-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxyphosphonic acid)

3D SDF for NP0235760 ([4-hydroxy-2-(6-hydroxy-2-imino-3h-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxyphosphonic acid)

3D-SDF for NP0235760 ([4-hydroxy-2-(6-hydroxy-2-imino-3h-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxyphosphonic acid)

PDB for NP0235760 ([4-hydroxy-2-(6-hydroxy-2-imino-3h-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxyphosphonic acid)

3D PDB for NP0235760 ([4-hydroxy-2-(6-hydroxy-2-imino-3h-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxyphosphonic acid)

SMILES for NP0235760 ([4-hydroxy-2-(6-hydroxy-2-imino-3h-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxyphosphonic acid)

INCHI for NP0235760 ([4-hydroxy-2-(6-hydroxy-2-imino-3h-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxyphosphonic acid)

Structure for NP0235760 ([4-hydroxy-2-(6-hydroxy-2-imino-3h-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxyphosphonic acid)

3D Structure for NP0235760 ([4-hydroxy-2-(6-hydroxy-2-imino-3h-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxyphosphonic acid)