Nicotinic acid adenine dinucleotide phosphate
[CAS 5502-96-5]

Identification

• Name: Nicotinic acid adenine dinucleotide phosphate
• Synonyms: [[(2R,3R,4R,5R)-5-(6-Aminopurin-9-Yl)-3-Hydroxy-4-Phosphonooxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] [(2R,3S,4R,5R)-5-(3-Carboxypyridin-1-Ium-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Phosphate; [[(2R,3R,4R,5R)-5-(6-Amino-9-Purinyl)-3-Hydroxy-4-Phosphonooxy-2-Tetrahydrofuranyl]Methoxy-Hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3-Carboxy-1-Pyridin-1-Iumyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl Phosphate; [[(2R,3R,4R,5R)-5-(6-Aminopurin-9-Yl)-3-Hydroxy-4-Phosphonooxy-Oxolan-2-Yl]Methoxy-Hydroxy-Phosphoryl] [(2R,3S,4R,5R)-5-(3-Carboxypyridin-1-Ium-1-Yl)-3,4-Dihydroxy-Oxolan-2-Yl]Methyl Phosphate
• Molecular Formula: C₂₁H₂₇N₆O₁₈P₃
• Molecular Weight: 744.40
• CAS Registry Number: 5502-96-5
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O[P](=O)(O)O)CO[P](O[P](OC[C@H]3O[C@@H]([N+]2=CC(=CC=C2)C(=O)O)[C@H](O)[C@@H]3O)([O-])=O)(=O)O)[N]4C5=C(N=C4)C(=NC=N5)N
• InChI: 1S/C21H27N6O18P3/c22-17-12-18(24-7-23-17)27(8-25-12)20-16(44-46(33,34)35)14(29)11(43-20)6-41-48(38,39)45-47(36,37)40-5-10-13(28)15(30)19(42-10)26-3-1-2-9(4-26)21(31)32/h1-4,7-8,10-11,13-16,19-20,28-30H,5-6H2,(H6-,22,23,24,31,32,33,34,35,36,37,38,39)/t10-,11-,13-,14-,15-,16-,19-,20-/m1/s1
• InChIKey: QOTXBMGJKFVZRD-HISDBWNOSA-N