Products 5502-96-5

CAS 5502-96-5 appears in our catalog under these names: NAADP tetrasodium salt, NAADP, 95.8%, Nicotinic acid adenine dinucleotide phos, NAADP, ≥92.5%. Offered by: GLPBio, MedChemExpress, Sigma-Aldrich, Chemat. Available pack sizes: 10mg, 1 mg, 5 mg, 25MG, 1mg.

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

[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3-carboxypyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate (CAS 5502-96-5) is a chemical compound with the molecular formula C21H27N6O18P3 and a molecular weight of 744.4 g/mol. IUPAC name: [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3-carboxypyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate. InChIKey: QOTXBMGJKFVZRD-HISDBWNOSA-N.

Identity
Molecular formulaC21H27N6O18P3
Molecular weight744.4 g/mol
IUPAC name[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3-carboxypyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate
InChIKeyQOTXBMGJKFVZRD-HISDBWNOSA-N
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)OP(=O)(O)O)O)O)O)C(=O)O

Computed by PubChem (NCBI)