Products 104809-30-5

CAS 104809-30-5 appears in our catalog under these names: NAAD sodium, Nicotinic acid adenine dinucleotide sodium, NAAD sodium salt, Adenosine 5′-(trihydrogen diphosphate), P′→5′-ester with 3-carboxy-1-β-D-ribofuranosylpyridinium inner salt, monosodium salt, 98%, 98%, NAAD (sodium), 99.88%. Offered by: GLPBio, Chemat Brand, TargetMol, Biosynth, Chemat. Available pack sizes: 5mg, on request, 1mg, 10mg, 25mg, 50mg, 100mg, 10 mg.

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

Sodium [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,3S,4R,5R)-5-(3-carboxypyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate (CAS 104809-30-5) is a chemical compound with the molecular formula C21H25N6NaO15P2 and a molecular weight of 686.4 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-carboxypyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate. InChIKey: LFHLUTZTSGEADU-RHANTIMGSA-M.

Identity
Molecular formulaC21H25N6NaO15P2
Molecular weight686.4 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-carboxypyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate
InChIKeyLFHLUTZTSGEADU-RHANTIMGSA-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)O.[Na+]

Computed by PubChem (NCBI)