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

Systemtic Name: disodium [(5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methyl phosphate hydrate Openeye Name: disodium [(5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl phosphate hydrate CAS Name: disodium [(5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-2-oxolanyl]methyl phosphate hydrate IUPAC Name: disodium [(5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl phosphate hydrate Traditional Name: disodium [(5R)-5-(2-amino-6-keto-3H-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl phosphate hydrate Formula: C10H14N5Na2O8P MolecularWeight: 409.200161

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C2NC(=NC3=O)N)COP(=O)([O-])[O-])O.O.[Na+].[Na+]

Isomeric SMILES

C1[C@@H](OC(C1O)COP(=O)([O-])[O-])N2C=NC3=C2NC(=NC3=O)N.O.[Na+].[Na+]

InChI

InChI=1S/C10H14N5O7P.2Na.H2O/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(22-6)2-21-23(18,19)20;;;/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17);;;1H2/q;2*+1;/p-2/t4?,5?,6-;;;/m1.../s1