NP-MRD: Showing NP-Card for 2-hydroxy-4-(6-hydroxy-2-imino-3h-purin-9-yl)-6-(hydroxymethyl)-tetrahydro-2λ⁵-furo[3,4-d][1,3,2]dioxaphosphol-2-one (NP0229874)

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Record Information

Version

2.0

Created at

2022-09-06 10:07:45 UTC

Updated at

2022-09-06 10:07:45 UTC

NP-MRD ID

NP0229874

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2-hydroxy-4-(6-hydroxy-2-imino-3h-purin-9-yl)-6-(hydroxymethyl)-tetrahydro-2λ⁵-furo[3,4-d][1,3,2]dioxaphosphol-2-one

Description

2-Hydroxy-4-(6-hydroxy-2-imino-3,9-dihydro-2H-purin-9-yl)-6-(hydroxymethyl)-tetrahydro-2H-2λ⁵-furo[3,4-d][1,3,2]dioxaphosphol-2-one belongs to the class of organic compounds known as 2',3'-cyclic purine nucleotides. These are purine nucleotides in which the oxygen atoms linked to the C2 and C3 carbon atoms of the ribose moiety are both bonded the same phosphorus atom of the phosphate group. 2-hydroxy-4-(6-hydroxy-2-imino-3h-purin-9-yl)-6-(hydroxymethyl)-tetrahydro-2λ⁵-furo[3,4-d][1,3,2]dioxaphosphol-2-one is found in Helianthus tuberosus. 2-Hydroxy-4-(6-hydroxy-2-imino-3,9-dihydro-2H-purin-9-yl)-6-(hydroxymethyl)-tetrahydro-2H-2λ⁵-furo[3,4-d][1,3,2]dioxaphosphol-2-one is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 35 38  0  0  0  0  0  0  0  0999 V2000
    4.3060    1.1829   -1.6569 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7731    0.4219   -0.5913 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4541    0.3888   -0.3020 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9449   -0.3218    0.6951 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8043   -1.0658    1.4783 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0527   -1.6853    2.4053 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7733   -1.3225    2.1847 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6883   -0.4843    1.1368 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5146    0.0866    0.6379 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2557    0.8073   -0.5529 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4913    0.9511   -1.2064 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8593    2.4307   -1.0378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0682    2.7296   -1.6373 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4914    0.1467   -0.4880 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.2995   -0.6844   -1.2006 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6796   -1.8092    0.0511 P   0  0  2  0  0  5  0  0  0  0  0  0
   -3.5548   -3.2169   -0.4401 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1518   -1.4619    0.7523 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3796   -1.4099    1.1122 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5411   -0.8690    0.1855 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1484   -1.0227    1.1717 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9107   -1.7207    1.9145 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6340   -0.2922    0.1535 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8891    2.0000   -1.4611 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0915    0.8928   -2.6273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0844   -1.6577    2.7707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9812    0.8288    1.3265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4157    0.7552   -2.2897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9639    2.6765    0.0472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0441    3.0512   -1.4622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1579    2.3321   -2.5368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0314    0.6741    0.3213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0165   -1.4486    1.7439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1599   -1.5865   -0.5632 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6715   -0.2971   -0.0347 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
 15 16  1  0
 16 18  1  1
 16 17  2  0
 16 19  1  0
 19 20  1  0
  5 21  1  0
 21 22  2  0
 21 23  1  0
 23  2  1  0
  8  4  1  0
 20  9  1  0
 20 14  1  0
  1 24  1  0
  1 25  1  0
  7 26  1  0
  9 27  1  1
 11 28  1  6
 12 29  1  0
 12 30  1  0
 13 31  1  0
 14 32  1  1
 18 33  1  0
 20 34  1  6
 23 35  1  0
M  END


  Mrv1533004191515042D          

 23 26  0  0  0  0            999 V2000
   -5.5064   -0.2349    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7919   -0.6474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0774   -0.2349    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3629   -0.6474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3629   -1.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5783   -1.7273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0934   -1.0599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5783   -0.3925    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3234    0.3922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8083    1.0596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3234    1.7270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5783    2.5117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3853    2.6832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5388    1.4721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7541    1.7270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2692    1.0596    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.3439    1.6116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3439    0.5076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7541    0.3922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5388    0.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0774   -1.8849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0774   -2.7099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7919   -1.4724    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
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
  9 20  1  0  0  0  0
 14 20  1  0  0  0  0
  5 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
  2 23  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0229874

> <DATABASE_NAME>
NP-MRD

> <SMILES>
NC1=NC2=C(N=CN2C2OC(CO)C3OP(O)(=O)OC23)C(=O)N1

> <INCHI_IDENTIFIER>
InChI=1S/C10H12N5O7P/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-6-5(3(1-16)20-9)21-23(18,19)22-6/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,14,17)

> <INCHI_KEY>
UASRYODFRYWBRC-UHFFFAOYSA-N

> <FORMULA>
C10H12N5O7P

> <MOLECULAR_WEIGHT>
345.208

> <EXACT_MASS>
345.047434744

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
35

> <JCHEM_AVERAGE_POLARIZABILITY>
28.785341088369464

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-amino-9-[2-hydroxy-6-(hydroxymethyl)-2-oxo-tetrahydro-2H-2λ⁵-furo[3,4-d][1,3,2]dioxaphosphol-4-yl]-6,9-dihydro-1H-purin-6-one

> <ALOGPS_LOGP>
-2.08

> <JCHEM_LOGP>
-2.098448510125918

> <ALOGPS_LOGS>
-1.97

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
10.157897346448113

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.7797494737112851

> <JCHEM_PKA_STRONGEST_BASIC>
0.4242056256206464

> <JCHEM_POLAR_SURFACE_AREA>
170.51999999999998

> <JCHEM_REFRACTIVITY>
71.71499999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.72e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-amino-9-[2-hydroxy-6-(hydroxymethyl)-2-oxo-tetrahydro-2λ⁵-furo[3,4-d][1,3,2]dioxaphosphol-4-yl]-1H-purin-6-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 19-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   19-APR-15         0                                  
HETATM    1  N   UNK     0     -10.279  -0.438   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0      -8.945  -1.208   0.000  0.00  0.00           C+0
HETATM    3  N   UNK     0      -7.611  -0.438   0.000  0.00  0.00           N+0
HETATM    4  C   UNK     0      -6.277  -1.208   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -6.277  -2.748   0.000  0.00  0.00           C+0
HETATM    6  N   UNK     0      -4.813  -3.224   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0      -3.908  -1.978   0.000  0.00  0.00           C+0
HETATM    8  N   UNK     0      -4.813  -0.733   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0      -4.337   0.732   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      -5.242   1.978   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      -4.337   3.224   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -4.813   4.688   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      -6.319   5.009   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      -2.872   2.748   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      -1.408   3.224   0.000  0.00  0.00           O+0
HETATM   16  P   UNK     0      -0.503   1.978   0.000  0.00  0.00           P+0
HETATM   17  O   UNK     0       0.642   3.008   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0       0.642   0.947   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      -1.408   0.732   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      -2.872   1.208   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -7.611  -3.518   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      -7.611  -5.058   0.000  0.00  0.00           O+0
HETATM   23  N   UNK     0      -8.945  -2.748   0.000  0.00  0.00           N+0
CONECT    1    2                                                            
CONECT    2    1    3   23                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    8                                                  
CONECT    5    4    6   21                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    4    9                                                  
CONECT    9    8   10   20                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   14                                                  
CONECT   12   11   13                                                       
CONECT   13   12                                                            
CONECT   14   11   15   20                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17   18   19                                             
CONECT   17   16                                                            
CONECT   18   16                                                            
CONECT   19   16   20                                                       
CONECT   20   19    9   14                                                  
CONECT   21    5   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21    2                                                       
MASTER        0    0    0    0    0    0    0    0   23    0   52    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₀H₁₂N₅O₇P

Average Mass

345.2080 Da

Monoisotopic Mass

345.04743 Da

IUPAC Name

2-amino-9-[2-hydroxy-6-(hydroxymethyl)-2-oxo-tetrahydro-2H-2λ⁵-furo[3,4-d][1,3,2]dioxaphosphol-4-yl]-6,9-dihydro-1H-purin-6-one

Traditional Name

2-amino-9-[2-hydroxy-6-(hydroxymethyl)-2-oxo-tetrahydro-2λ⁵-furo[3,4-d][1,3,2]dioxaphosphol-4-yl]-1H-purin-6-one

CAS Registry Number

Not Available

SMILES

NC1=NC2=C(N=CN2C2OC(CO)C3OP(O)(=O)OC23)C(=O)N1

InChI Identifier

InChI=1S/C10H12N5O7P/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-6-5(3(1-16)20-9)21-23(18,19)22-6/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,14,17)

InChI Key

UASRYODFRYWBRC-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 2',3'-cyclic purine nucleotides. These are purine nucleotides in which the oxygen atoms linked to the C2 and C3 carbon atoms of the ribose moiety are both bonded the same phosphorus atom of the phosphate group.

Kingdom

Organic compounds

Super Class

Nucleosides, nucleotides, and analogues

Class

Purine nucleotides

Sub Class

Cyclic purine nucleotides

Direct Parent

2',3'-cyclic purine nucleotides

Alternative Parents

Substituents

2',3'-cyclic purine ribonucleotide
Ribonucleoside 3'-phosphate
6-oxopurine
Purinone
Hypoxanthine
Purine
Imidazopyrimidine
Pyrimidone
Aminopyrimidine
N-substituted imidazole
Pyrimidine
Organic phosphoric acid derivative
Monosaccharide
Azole
Imidazole
Vinylogous amide
Tetrahydrofuran
Heteroaromatic compound
1,3_dioxaphospholane
Oxacycle
Azacycle
Organoheterocyclic compound
Primary amine
Alcohol
Organic oxygen compound
Organic nitrogen compound
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Amine
Primary alcohol
Organooxygen compound
Organonitrogen compound
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	-2.1	ALOGPS
logP	-2.1	ChemAxon
logS	-2	ALOGPS
pKa (Strongest Acidic)	1.78	ChemAxon
pKa (Strongest Basic)	0.42	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	170.52 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	71.72 m³·mol⁻¹	ChemAxon
Polarizability	28.79 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	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

417655

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 2-hydroxy-4-(6-hydroxy-2-imino-3h-purin-9-yl)-6-(hydroxymethyl)-tetrahydro-2λ⁵-furo[3,4-d][1,3,2]dioxaphosphol-2-one (NP0229874)

MOL for NP0229874 (2-hydroxy-4-(6-hydroxy-2-imino-3h-purin-9-yl)-6-(hydroxymethyl)-tetrahydro-2λ⁵-furo[3,4-d][1,3,2]dioxaphosphol-2-one)

3D MOL for NP0229874 (2-hydroxy-4-(6-hydroxy-2-imino-3h-purin-9-yl)-6-(hydroxymethyl)-tetrahydro-2λ⁵-furo[3,4-d][1,3,2]dioxaphosphol-2-one)

3D SDF for NP0229874 (2-hydroxy-4-(6-hydroxy-2-imino-3h-purin-9-yl)-6-(hydroxymethyl)-tetrahydro-2λ⁵-furo[3,4-d][1,3,2]dioxaphosphol-2-one)

3D-SDF for NP0229874 (2-hydroxy-4-(6-hydroxy-2-imino-3h-purin-9-yl)-6-(hydroxymethyl)-tetrahydro-2λ⁵-furo[3,4-d][1,3,2]dioxaphosphol-2-one)

PDB for NP0229874 (2-hydroxy-4-(6-hydroxy-2-imino-3h-purin-9-yl)-6-(hydroxymethyl)-tetrahydro-2λ⁵-furo[3,4-d][1,3,2]dioxaphosphol-2-one)

3D PDB for NP0229874 (2-hydroxy-4-(6-hydroxy-2-imino-3h-purin-9-yl)-6-(hydroxymethyl)-tetrahydro-2λ⁵-furo[3,4-d][1,3,2]dioxaphosphol-2-one)

SMILES for NP0229874 (2-hydroxy-4-(6-hydroxy-2-imino-3h-purin-9-yl)-6-(hydroxymethyl)-tetrahydro-2λ⁵-furo[3,4-d][1,3,2]dioxaphosphol-2-one)

INCHI for NP0229874 (2-hydroxy-4-(6-hydroxy-2-imino-3h-purin-9-yl)-6-(hydroxymethyl)-tetrahydro-2λ⁵-furo[3,4-d][1,3,2]dioxaphosphol-2-one)

Structure for NP0229874 (2-hydroxy-4-(6-hydroxy-2-imino-3h-purin-9-yl)-6-(hydroxymethyl)-tetrahydro-2λ⁵-furo[3,4-d][1,3,2]dioxaphosphol-2-one)

3D Structure for NP0229874 (2-hydroxy-4-(6-hydroxy-2-imino-3h-purin-9-yl)-6-(hydroxymethyl)-tetrahydro-2λ⁵-furo[3,4-d][1,3,2]dioxaphosphol-2-one)