3-Pyridinealdehyde adenine dinucleotide

Base Information

• Chemical Name: 3-Pyridinealdehyde adenine dinucleotide
• CAS No.: 86-07-7
• Molecular Formula: C₂₁H₂₆N₆O₁₄P₂
• Molecular Weight: 648.417
• DSSTox Substance ID: DTXSID601018979
• Mol file: 86-07-7.mol

Synonyms:3-pyridinealdehyde-NAD

Chemical Property of 3-Pyridinealdehyde adenine dinucleotide

Chemical Property:

• Vapor Pressure: 2.43E-29mmHg at 25°C
• Boiling Point: 852.1°C at 760 mmHg
• Flash Point: 469.2°C
• PSA: 311.86000
• Density: 1.345g/cm³
• LogP: -1.72110
• Storage Temp.: −20°C
• XLogP3: -5.4
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 11
• Exact Mass: 648.09822352
• Heavy Atom Count: 43
• Complexity: 1080

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Pyridinealdehyde adenine dinucleotide

There total 1 articles about 3-Pyridinealdehyde adenine dinucleotide 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:

3-pyridinecarboxaldehyde (500-22-1) + nicotinamide adenine dinucleotide (865-05-4) → 3-pyridinealdehyde adenine dinucleotide (86-07-7)

Guidance literature:

With NAD⁺-nucleosidase;

Reference yield:

3-pyridinealdehyde adenine dinucleotide (86-07-7) + (2,4-dinitro-phenyl)-hydrazine (119-26-6) → diphosphoric acid-1-adenosin-5'-ylester-2-((1R)-1-{3-[(2,4-dinitro-phenylhydrazono)-methyl]-pyridino}-D-1,4-anhydro-ribitol-5-ylester)-betaine

Guidance literature:

With hydrogenchloride;

upstream raw materials:

3-pyridinecarboxaldehyde

nicotinamide adenine dinucleotide