3-Aminopyridine Adenine Dinucleotide
[CAS# 21106-96-7]

Identification

• Name: 3-Aminopyridine Adenine Dinucleotide
• Synonyms: (2R,3R,4S,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxymethyl]-2-(3-Aminopyridin-1-Ium-1-Yl)-4-Hydroxy-Tetrahydrofuran-3-Olate; (2R,3R,4S,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methoxy-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl]Oxymethyl]-2-(3-Amino-1-Pyridin-1-Iumyl)-4-Hydroxy-3-Tetrahydrofuranolate; (2R,3R,4S,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Oxolan-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxymethyl]-2-(3-Aminopyridin-1-Ium-1-Yl)-4-Hydroxy-Oxolan-3-Olate
• Molecular Formula: C₂₀H₂₇N₇O₁₃P₂
• Molecular Weight: 635.42
• CAS Registry Number: 21106-96-7
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO[P](O[P](OC[C@H]3O[C@@H]([N+]2=CC(=CC=C2)N)[C@H]([O-])[C@@H]3O)(=O)O)(=O)O)[N]4C5=C(N=C4)C(=NC=N5)N
• InChI: 1S/C20H27N7O13P2/c21-9-2-1-3-26(4-9)19-15(30)13(28)10(38-19)5-36-41(32,33)40-42(34,35)37-6-11-14(29)16(31)20(39-11)27-8-25-12-17(22)23-7-24-18(12)27/h1-4,7-8,10-11,13-16,19-20,28-29,31H,5-6,21H2,(H,32,33)(H,34,35)(H2,22,23,24)/t10-,11-,13-,14-,15-,16-,19-,20-/m1/s1
• InChIKey: NKCBLVMXMCSJQL-HISDBWNOSA-N