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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3C2=NC(=NC3=O)N)COP(=O)([O-])[O-])O.O.[Na+].[Na+]

Isomeric SMILES

C1[C@@H]([C@H](O[C@H]1N2C=NC3C2=NC(=NC3=O)N)COP(=O)([O-])[O-])O.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;;;/h3-7,16H,1-2H2,(H2,11,14,17)(H2,18,19,20);;;1H2/q;2*+1;/p-2/t4-,5+,6+,7?;;;/m0.../s1