trisodium [[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-methyl-oxolan-3-yl]oxy-oxidanidyl-phosphoryl] phosphate

Systemtic Name: trisodium [[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-methyl-oxolan-3-yl]oxy-oxidanidyl-phosphoryl] phosphate Openeye Name: trisodium [[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-methyl-tetrahydrofuran-3-yl]oxy-oxido-phosphoryl] phosphate CAS Name: trisodium [[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-methyl-3-oxolanyl]oxy-oxidophosphoryl] phosphate IUPAC Name: trisodium [[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-methyloxolan-3-yl]oxy-oxidophosphoryl] phosphate Traditional Name: trisodium [[(2R,3S,5R)-5-adenin-9-yl-2-methyl-tetrahydrofuran-3-yl]oxy-oxido-phosphoryl] phosphate Formula: C10H12N5Na3O8P2 MolecularWeight: 461.147812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(CC(O1)N2C=NC3=C2N=CN=C3N)OP(=O)([O-])OP(=O)([O-])[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C[C@@H]1[C@H](C[C@@H](O1)N2C=NC3=C2N=CN=C3N)OP(=O)([O-])OP(=O)([O-])[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C10H15N5O8P2.3Na/c1-5-6(22-25(19,20)23-24(16,17)18)2-7(21-5)15-4-14-8-9(11)12-3-13-10(8)15;;;/h3-7H,2H2,1H3,(H,19,20)(H2,11,12,13)(H2,16,17,18);;;/q;3*+1/p-3/t5-,6+,7-;;;/m1.../s1