3-Aminopyridine Adenine Dinucleotide Phosphate
[CAS# 54758-28-0]

Identification

• Name: 3-Aminopyridine Adenine Dinucleotide Phosphate
• Synonyms: (2R,3R,4S,5R)-5-[[[(2R,3R,4R,5R)-2-(6-Aminopurin-9-Yl)-4-Hydroxy-5-[(Hydroxy-Phosphonooxy-Phosphoryl)Oxymethyl]Tetrahydrofuran-3-Yl]Oxy-Hydroxy-Phosphoryl]Oxymethyl]-2-(3-Aminopyridin-1-Ium-1-Yl)-4-Hydroxy-Tetrahydrofuran-3-Olate; (2R,3R,4S,5R)-5-[[[(2R,3R,4R,5R)-2-(6-Amino-9-Purinyl)-4-Hydroxy-5-[(Hydroxy-Phosphonooxyphosphoryl)Oxymethyl]-3-Tetrahydrofuranyl]Oxy-Hydroxyphosphoryl]Oxymethyl]-2-(3-Amino-1-Pyridin-1-Iumyl)-4-Hydroxy-3-Tetrahydrofuranolate; (2R,3R,4S,5R)-5-[[[(2R,3R,4R,5R)-2-(6-Aminopurin-9-Yl)-4-Hydroxy-5-[(Hydroxy-Phosphonooxy-Phosphoryl)Oxymethyl]Oxolan-3-Yl]Oxy-Hydroxy-Phosphoryl]Oxymethyl]-2-(3-Aminopyridin-1-Ium-1-Yl)-4-Hydroxy-Oxolan-3-Olate
• Molecular Formula: C₂₀H₂₈N₇O₁₆P₃
• Molecular Weight: 715.40
• CAS Registry Number: 54758-28-0
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O[P](OC[C@H]3O[C@@H]([N+]2=CC(=CC=C2)N)[C@H]([O-])[C@@H]3O)(=O)O)CO[P](O[P](=O)(O)O)(=O)O)[N]4C5=C(N=C4)C(=NC=N5)N
• InChI: 1S/C20H28N7O16P3/c21-9-2-1-3-26(4-9)19-15(30)13(28)10(40-19)5-38-45(34,35)42-16-14(29)11(6-39-46(36,37)43-44(31,32)33)41-20(16)27-8-25-12-17(22)23-7-24-18(12)27/h1-4,7-8,10-11,13-16,19-20,28-29H,5-6,21H2,(H,34,35)(H,36,37)(H2,22,23,24)(H2,31,32,33)/t10-,11-,13-,14-,15-,16-,19-,20-/m1/s1
• InChIKey: BAXCQRTXEORKEF-HISDBWNOSA-N