disodium [(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] phosphate hydrate

Systemtic Name: disodium [(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] phosphate hydrate Openeye Name: disodium [(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] phosphate hydrate CAS Name: disodium [(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl] phosphate hydrate IUPAC Name: disodium [(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] phosphate hydrate Traditional Name: disodium [(2R,3S,4R,5R)-5-(2-amino-6-keto-3H-purin-9-yl)-4-hydroxy-2-methylol-tetrahydrofuran-3-yl] phosphate hydrate Formula: C10H14N5Na2O9P MolecularWeight: 425.199561

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1C3C(C(C(O3)CO)OP(=O)([O-])[O-])O)NC(=NC2=O)N.O.[Na+].[Na+]

Isomeric SMILES

C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)([O-])[O-])O)NC(=NC2=O)N.O.[Na+].[Na+]

InChI

InChI=1S/C10H14N5O8P.2Na.H2O/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-5(17)6(3(1-16)22-9)23-24(19,20)21;;;/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18);;;1H2/q;2*+1;/p-2/t3-,5-,6-,9-;;;/m1.../s1