disodium [(5R)-3,4-bis(oxidanyl)-5-(6-oxidanylidene-5H-purin-9-yl)oxolan-2-yl]methyl phosphate

Systemtic Name: disodium [(5R)-3,4-bis(oxidanyl)-5-(6-oxidanylidene-5H-purin-9-yl)oxolan-2-yl]methyl phosphate Openeye Name: disodium [(5R)-3,4-dihydroxy-5-(6-oxo-5H-purin-9-yl)tetrahydrofuran-2-yl]methyl phosphate CAS Name: disodium [(5R)-3,4-dihydroxy-5-(6-oxo-5H-purin-9-yl)-2-oxolanyl]methyl phosphate IUPAC Name: disodium [(5R)-3,4-dihydroxy-5-(6-oxo-5H-purin-9-yl)oxolan-2-yl]methyl phosphate Traditional Name: disodium [(5R)-3,4-dihydroxy-5-(6-keto-5H-purin-9-yl)tetrahydrofuran-2-yl]methyl phosphate Formula: C10H11N4Na2O8P MolecularWeight: 392.169641

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=O)C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)([O-])[O-])O)O.[Na+].[Na+]

Isomeric SMILES

C1=NC(=O)C2C(=N1)N(C=N2)[C@H]3C(C(C(O3)COP(=O)([O-])[O-])O)O.[Na+].[Na+]

InChI

InChI=1S/C10H13N4O8P.2Na/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17;;/h2-7,10,15-16H,1H2,(H2,18,19,20);;/q;2*+1/p-2/t4?,5?,6?,7?,10-;;/m1../s1