disodium [[3,4-bis(oxidanyl)-5-(6-oxidanylidene-3H-purin-9-yl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] phosphono phosphate

Systemtic Name: disodium [[3,4-bis(oxidanyl)-5-(6-oxidanylidene-3H-purin-9-yl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] phosphono phosphate Openeye Name: disodium [[3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] phosphono phosphate CAS Name: disodium [[3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)-2-oxolanyl]methoxy-oxidophosphoryl] phosphono phosphate IUPAC Name: disodium [[3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methoxy-oxidophosphoryl] phosphono phosphate Traditional Name: disodium [[3,4-dihydroxy-5-(6-keto-3H-purin-9-yl)tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] phosphono phosphate Formula: C10H13N4Na2O14P3 MolecularWeight: 552.129443

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)COP(=O)([O-])OP(=O)([O-])OP(=O)(O)O)O)O.[Na+].[Na+]

Isomeric SMILES

C1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)COP(=O)([O-])OP(=O)([O-])OP(=O)(O)O)O)O.[Na+].[Na+]

InChI

InChI=1S/C10H15N4O14P3.2Na/c15-6-4(1-25-30(21,22)28-31(23,24)27-29(18,19)20)26-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17;;/h2-4,6-7,10,15-16H,1H2,(H,21,22)(H,23,24)(H,11,12,17)(H2,18,19,20);;/q;2*+1/p-2