3-Azidopyridine-Adenine Dinucleotide
[CAS# 50695-15-3]

Identification

• Name: 3-Azidopyridine-Adenine Dinucleotide
• Synonyms: (2R,3R,4S,5R)-4-[[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxy-2-(3-Azidopyridin-1-Ium-1-Yl)-5-(Hydroxymethyl)Tetrahydrofuran-3-Olate; (2R,3R,4S,5R)-4-[[[(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methoxy-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl]Oxy-2-(3-Azido-1-Pyridin-1-Iumyl)-5-(Hydroxymethyl)-3-Tetrahydrofuranolate; (2R,3R,4S,5R)-4-[[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxy-2-(3-Azidopyridin-1-Ium-1-Yl)-5-Methylol-Tetrahydrofuran-3-Olate
• Molecular Formula: C₂₀H₂₅N₉O₁₃P₂
• Molecular Weight: 661.42
• CAS Registry Number: 50695-15-3
• SMILES: [N+](=NC1=CC=C[N+](=C1)[C@@H]5O[C@@H]([C@@H](O[P](O[P](OC[C@H]4O[C@@H]([N]2C3=C(N=C2)C(=NC=N3)N)[C@H](O)[C@@H]4O)(=O)O)(=O)O)[C@H]5[O-])CO)=[N-]
• InChI: 1S/C20H25N9O13P2/c21-17-12-18(24-7-23-17)29(8-25-12)20-14(32)13(31)11(40-20)6-38-43(34,35)42-44(36,37)41-16-10(5-30)39-19(15(16)33)28-3-1-2-9(4-28)26-27-22/h1-4,7-8,10-11,13-16,19-20,30-32H,5-6H2,(H,34,35)(H,36,37)(H2,21,23,24)/t10-,11-,13-,14-,15-,16-,19-,20-/m1/s1
• InChIKey: MZCCDFKWCAZTHE-HISDBWNOSA-N