3-Acetylpyridine-adenine dinucleotide phosphate

Base Information

• Chemical Name: 3-Acetylpyridine-adenine dinucleotide phosphate
• CAS No.: 341-67-3
• Molecular Formula: C₂₂H₂₉N₆O₁₇P₃
• Molecular Weight: 742.424
• DSSTox Substance ID: DTXSID50187693
• Mol file: 341-67-3.mol

Synonyms:3-acetylpyridine-adenine dinucleotide phosphate;3-acetylpyridine-NADP

Chemical Property of 3-Acetylpyridine-adenine dinucleotide phosphate

Chemical Property:

• PSA: 371.03000
• LogP: -0.77580
• XLogP3: -6.3
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 21
• Rotatable Bond Count: 13
• Exact Mass: 742.08020447
• Heavy Atom Count: 48
• Complexity: 1290

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=C[N+](=CC=C1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)OP(=O)(O)O)O)O)O
• Isomeric SMILES: CC(=O)C1=C[N+](=CC=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)OP(=O)(O)O)O)O)O

Technology Process of 3-Acetylpyridine-adenine dinucleotide phosphate

There total 1 articles about 3-Acetylpyridine-adenine dinucleotide phosphate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

methyl-3-pyridylketone (350-03-8) → diphosphoric acid-1-[(1R)-1-(3-acetyl-pyridinio)-D-1,4-anhydro-ribitol-5-ylester]-2-(O2'-phosphono-adenosin-5'-ylester)-betaine (341-67-3)

Guidance literature:

With NADP⁺-nucleosidase;

upstream raw materials:

methyl-3-pyridylketone