disodium [[(2R,3R,4S,5R,6R)-2,6-bis(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]methoxy-oxidanidyl-phosphoryl] [(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphate

Systemtic Name: disodium [[(2R,3R,4S,5R,6R)-2,6-bis(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]methoxy-oxidanidyl-phosphoryl] [(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphate Openeye Name: disodium [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] [(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-2,6-bis(hydroxymethyl)tetrahydropyran-2-yl]methyl phosphate CAS Name: disodium [[(2R,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-oxidophosphoryl] [(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-2,6-bis(hydroxymethyl)-2-oxanyl]methyl phosphate IUPAC Name: disodium [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-2,6-bis(hydroxymethyl)oxan-2-yl]methyl phosphate Traditional Name: disodium [[(2R,3S,4R,5R)-5-(2,4-diketopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] [(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-2,6-dimethylol-tetrahydropyran-2-yl]methyl phosphate Formula: C17H26N2Na2O18P2 MolecularWeight: 654.318002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)([O-])OP(=O)([O-])OCC3(C(C(C(C(O3)CO)O)O)O)CO)O)O.[Na+].[Na+]

Isomeric SMILES

C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@]3([C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)CO)O)O.[Na+].[Na+]

InChI

InChI=1S/C17H28N2O18P2.2Na/c20-3-7-10(23)12(25)14(27)17(5-21,36-7)6-34-39(31,32)37-38(29,30)33-4-8-11(24)13(26)15(35-8)19-2-1-9(22)18-16(19)28;;/h1-2,7-8,10-15,20-21,23-27H,3-6H2,(H,29,30)(H,31,32)(H,18,22,28);;/q;2*+1/p-2/t7-,8-,10+,11-,12+,13-,14-,15-,17-;;/m1../s1