2-azanyl-9-[5-methyl-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purin-6-one; 5-methyloxolane-2,3,4-triol; diphosphate

Systemtic Name: 2-azanyl-9-[5-methyl-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purin-6-one; 5-methyloxolane-2,3,4-triol; diphosphate Openeye Name: 2-amino-9-(3,4-dihydroxy-5-methyl-tetrahydrofuran-2-yl)-3H-purin-6-one; 5-methyltetrahydrofuran-2,3,4-triol; diphosphate CAS Name: 2-amino-9-(3,4-dihydroxy-5-methyl-2-oxolanyl)-3H-purin-6-one; 5-methyloxolane-2,3,4-triol; diphosphate IUPAC Name: 2-amino-9-(3,4-dihydroxy-5-methyloxolan-2-yl)-3H-purin-6-one; 5-methyloxolane-2,3,4-triol; diphosphate Traditional Name: 2-amino-9-(3,4-dihydroxy-5-methyl-tetrahydrofuran-2-yl)-3H-purin-6-one; 5-methyltetrahydrofuran-2,3,4-triol; diphosphate Formula: C15H23N5O16P2-6 MolecularWeight: 591.314542

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(O1)N2C=NC3=C2NC(=NC3=O)N)O)O.CC1C(C(C(O1)O)O)O.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

Isomeric SMILES

CC1C(C(C(O1)N2C=NC3=C2NC(=NC3=O)N)O)O.CC1C(C(C(O1)O)O)O.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C10H13N5O4.C5H10O4.2H3O4P/c1-3-5(16)6(17)9(19-3)15-2-12-4-7(15)13-10(11)14-8(4)18;1-2-3(6)4(7)5(8)9-2;2*1-5(2,3)4/h2-3,5-6,9,16-17H,1H3,(H3,11,13,14,18);2-8H,1H3;2*(H3,1,2,3,4)/p-6