disodium (2R,3R,4S,5R)-2-[2,6-bis(oxidanylidene)-3H-purin-9-yl]-5-[[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxymethyl]oxolane-3,4-diolate

Systemtic Name: disodium (2R,3R,4S,5R)-2-[2,6-bis(oxidanylidene)-3H-purin-9-yl]-5-[[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxymethyl]oxolane-3,4-diolate Openeye Name: disodium (2R,3R,4S,5R)-2-(2,6-dioxo-3H-purin-9-yl)-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphoryl]oxymethyl]tetrahydrofuran-3,4-diolate CAS Name: disodium (2R,3R,4S,5R)-2-(2,6-dioxo-3H-purin-9-yl)-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolane-3,4-diolate IUPAC Name: disodium (2R,3R,4S,5R)-2-(2,6-dioxo-3H-purin-9-yl)-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolane-3,4-diolate Traditional Name: disodium (2R,3R,4S,5R)-2-(2,6-diketo-3H-purin-9-yl)-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphoryl]oxymethyl]tetrahydrofuran-3,4-diolate Formula: C10H13N4Na2O15P3 MolecularWeight: 568.128843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13N4O15P3.2Na/c15-5-3(1-26-31(22,23)29-32(24,25)28-30(19,20)21)27-9(6(5)16)14-2-11-4-7(14)12-10(18)13-8(4)17;;/h2-3,5-6,9H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H2,12,13,17,18);;/q-2;2*+1/t3-,5-,6-,9-;;/m1../s1