Products 20111-18-6

CAS 20111-18-6 appears in our catalog under these names: Beta-Nicotinamide Adenine Dinucleotide Sodium Salt, β–Nicotinamide adenine dinucleotide sodium salt, β-Nicotinamide adenine dinucleotide sodium dihydrate, NAD sodium 95%, Adenosine 5′-(trihydrogen diphosphate), P′→5′-ester with 3-(aminocarbonyl)-1-β-D-ribofuranosylpyridinium, inner salt, sodium salt (1:1), 98%, 98%. Offered by: Chemat Brand, GLPBio, Biosynth, Ambeed, Chemat. Available pack sizes: on request, 1g, 25g, 5g, 2g, 10g, 50g, 100g.

Sodium [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate (CAS 20111-18-6) is a chemical compound with the molecular formula C21H26N7NaO14P2 and a molecular weight of 685.4 g/mol. IUPAC name: sodium [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate. InChIKey: OGCURMAMSJFXSG-QYZPTAICSA-M.

Identity
Molecular formulaC21H26N7NaO14P2
Molecular weight685.4 g/mol
IUPAC namesodium [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate
InChIKeyOGCURMAMSJFXSG-QYZPTAICSA-M
SMILESC1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N.[Na+]

Computed by PubChem (NCBI)