trisodium [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-phosphinothioyl]oxy-oxidanidyl-phosphoryl] hydrogen phosphate

Systemtic Name: trisodium [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-phosphinothioyl]oxy-oxidanidyl-phosphoryl] hydrogen phosphate Openeye Name: trisodium [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphinothioyl]oxy-oxido-phosphoryl] hydrogen phosphate CAS Name: trisodium [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-oxidophosphinothioyl]oxy-oxidophosphoryl] hydrogen phosphate IUPAC Name: trisodium [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-oxidophosphoryl] hydrogen phosphate Traditional Name: trisodium [[[(2R,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-thiophosphoryl]oxy-oxido-phosphoryl] hydrogen phosphate Formula: C10H13N5Na3O12P3S MolecularWeight: 589.192113

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=S)([O-])OP(=O)([O-])OP(=O)(O)[O-])O)O.[Na+].[Na+].[Na+]

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=S)([O-])OP(=O)([O-])OP(=O)(O)[O-])O)O.[Na+].[Na+].[Na+]

InChI

InChI=1S/C10H16N5O12P3S.3Na/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(25-10)1-24-30(23,31)27-29(21,22)26-28(18,19)20;;;/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,31)(H2,11,12,13)(H2,18,19,20);;;/q;3*+1/p-3/t4-,6-,7-,10-,30?;;;/m1.../s1