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

Systemtic Name: trisodium [[3,4-bis(oxidanyl)-5-(6-oxidanylidene-3H-purin-9-yl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] phosphate Openeye Name: trisodium [[3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] phosphate CAS Name: trisodium [[3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)-2-oxolanyl]methoxy-oxidophosphoryl] phosphate IUPAC Name: trisodium [[3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methoxy-oxidophosphoryl] phosphate Traditional Name: trisodium [[3,4-dihydroxy-5-(6-keto-3H-purin-9-yl)tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] phosphate Formula: C10H11N4Na3O11P2 MolecularWeight: 494.131372

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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-])[O-])O)O.[Na+].[Na+].[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C10H14N4O11P2.3Na/c15-6-4(1-23-27(21,22)25-26(18,19)20)24-10(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,11,12,17)(H2,18,19,20);;;/q;3*+1/p-3