3-Iodopyridine-Adenine Dinucleotide Phosphate
[CAS# 71187-05-8]

Identification

• Name: 3-Iodopyridine-Adenine Dinucleotide Phosphate
• Synonyms: (2R,3R,4S,5R)-5-[[(2R,3R,4R,5R)-5-(6-Aminopurin-9-Yl)-2-[(Hydroxy-Phosphonooxy-Phosphoryl)Oxymethyl]-4-Phosphonooxy-Tetrahydrofuran-3-Yl]Oxymethyl]-4-Hydroxy-2-(3-Iodopyridin-1-Ium-1-Yl)Tetrahydrofuran-3-Olate; (2R,3R,4S,5R)-5-[[(2R,3R,4R,5R)-5-(6-Amino-9-Purinyl)-2-[(Hydroxy-Phosphonooxyphosphoryl)Oxymethyl]-4-Phosphonooxy-3-Tetrahydrofuranyl]Oxymethyl]-4-Hydroxy-2-(3-Iodo-1-Pyridin-1-Iumyl)-3-Tetrahydrofuranolate; (2R,3R,4S,5R)-5-[[(2R,3R,4R,5R)-5-(6-Aminopurin-9-Yl)-2-[(Hydroxy-Phosphonooxy-Phosphoryl)Oxymethyl]-4-Phosphonooxy-Oxolan-3-Yl]Oxymethyl]-4-Hydroxy-2-(3-Iodopyridin-1-Ium-1-Yl)Oxolan-3-Olate
• Molecular Formula: C₂₀H₂₆IN₆O₁₆P₃
• Molecular Weight: 826.28
• CAS Registry Number: 71187-05-8
• SMILES: [C@H]3(O[C@@H]([C@@H](OC[C@H]2O[C@@H]([N+]1=CC(=CC=C1)I)[C@H]([O-])[C@@H]2O)[C@H]3O[P](=O)(O)O)CO[P](O[P](=O)(O)O)(=O)O)[N]4C5=C(N=C4)C(=NC=N5)N
• InChI: 1S/C20H26IN6O16P3/c21-9-2-1-3-26(4-9)19-14(29)13(28)10(40-19)5-38-15-11(6-39-46(36,37)43-45(33,34)35)41-20(16(15)42-44(30,31)32)27-8-25-12-17(22)23-7-24-18(12)27/h1-4,7-8,10-11,13-16,19-20,28H,5-6H2,(H,36,37)(H2,22,23,24)(H2,30,31,32)(H2,33,34,35)/t10-,11-,13-,14-,15-,16-,19-,20-/m1/s1
• InChIKey: CQFJPMRGOPHIEG-HISDBWNOSA-N