Products 211427-08-6

CAS 211427-08-6 appears in our catalog under these names: Diquafosol tetrasodium, 95%, Diquafosol Tetrasodium Salt, Diquafosol tetrasodium/ 99.68% (existing batch purity), Diquafosol tetrasodium (INS365), Diquafosol tetrasodium. Offered by: Combi-blocks, Chemat Brand, TargetMol, GLPBio, Biosynth. Available pack sizes: 1g, 100mg, 250mg, on request, 2mg, 5mg, 10mg, 25mg.

Structural formula: {0} (CAS {1})

Tetrasodium;[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate (CAS 211427-08-6) is a chemical compound with the molecular formula C18H22N4Na4O23P4 and a molecular weight of 878.2 g/mol. IUPAC name: tetrasodium;[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate. InChIKey: OWTGMPPCCUSXIP-FNXFGIETSA-J.

Identity
Molecular formulaC18H22N4Na4O23P4
Molecular weight878.2 g/mol
IUPAC nametetrasodium;[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
InChIKeyOWTGMPPCCUSXIP-FNXFGIETSA-J
SMILESC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)O)O.[Na+].[Na+].[Na+].[Na+]

Computed by PubChem (NCBI)