tetrasodium [[[(2R,3R,5R)-5-(2-azanyl-7-methyl-6-oxidanylidene-3H-purin-9-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl]oxy-oxidanidyl-phosphoryl] phosphate

Systemtic Name: tetrasodium [[[(2R,3R,5R)-5-(2-azanyl-7-methyl-6-oxidanylidene-3H-purin-9-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl]oxy-oxidanidyl-phosphoryl] phosphate Openeye Name: tetrasodium [[[(2R,3R,5R)-5-(2-amino-7-methyl-6-oxo-3H-purin-9-ium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-oxido-phosphoryl] phosphate CAS Name: tetrasodium [[[(2R,3R,5R)-5-(2-amino-7-methyl-6-oxo-3H-purin-9-ium-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate IUPAC Name: tetrasodium [[[(2R,3R,5R)-5-(2-amino-7-methyl-6-oxo-3H-purin-9-ium-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate Traditional Name: tetrasodium [[[(2R,3R,5R)-5-(2-amino-6-keto-7-methyl-3H-purin-9-ium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-oxido-phosphoryl] phosphate Formula: C11H15N5Na4O14P3+ MolecularWeight: 626.142263

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=[N+](C2=C1C(=O)N=C(N2)N)C3C(C(C(O3)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O)O.[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

CN1C=[N+](C2=C1C(=O)N=C(N2)N)[C@H]3C([C@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O)O.[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C11H18N5O14P3.4Na/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(28-10)2-27-32(23,24)30-33(25,26)29-31(20,21)22;;;;/h3-4,6-7,10,17-18H,2H2,1H3,(H6-,12,13,14,19,20,21,22,23,24,25,26);;;;/q;4*+1/p-3/t4-,6+,7?,10-;;;;/m1..../s1