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

Systemtic Name: disodium [(5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] phosphate Openeye Name: disodium [(5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] phosphate CAS Name: disodium [(5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl] phosphate IUPAC Name: disodium [(5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] phosphate Traditional Name: disodium [(5R)-5-(2-amino-6-keto-3H-purin-9-yl)-4-hydroxy-2-methylol-tetrahydrofuran-3-yl] phosphate Formula: C10H12N5Na2O8P MolecularWeight: 407.184281

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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.[Na+].[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C10H14N5O8P.2Na/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);;/q;2*+1/p-2/t3?,5?,6?,9-;;/m1../s1