[2-(hydroxymethyl)-4-oxidanyl-5-(6-oxidanylidene-3H-purin-9-yl)oxolan-3-yl] phosphate

Systemtic Name: [2-(hydroxymethyl)-4-oxidanyl-5-(6-oxidanylidene-3H-purin-9-yl)oxolan-3-yl] phosphate Openeye Name: [4-hydroxy-2-(hydroxymethyl)-5-(6-oxo-3H-purin-9-yl)tetrahydrofuran-3-yl] phosphate CAS Name: [4-hydroxy-2-(hydroxymethyl)-5-(6-oxo-3H-purin-9-yl)-3-oxolanyl] phosphate IUPAC Name: [4-hydroxy-2-(hydroxymethyl)-5-(6-oxo-3H-purin-9-yl)oxolan-3-yl] phosphate Traditional Name: [4-hydroxy-5-(6-keto-3H-purin-9-yl)-2-methylol-tetrahydrofuran-3-yl] phosphate Formula: C10H11N4O8P-2 MolecularWeight: 346.190101

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])[O-])O

Isomeric SMILES

C1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])[O-])O

InChI

InChI=1S/C10H13N4O8P/c15-1-4-7(22-23(18,19)20)6(16)10(21-4)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20)/p-2