Nicotinamide 8-azidoadenine dinucleotide

Base Information

• Chemical Name: Nicotinamide 8-azidoadenine dinucleotide
• CAS No.: 134388-69-5
• Molecular Formula: C21H28 N10 O14 P2
• Molecular Weight: 706.453142
• DSSTox Substance ID: DTXSID10158682
• Wikidata: Q83027000
• Mol file: 134388-69-5.mol

Synonyms:(A)-8-azido-NAD+;8-azido-NAD;8-N3-NAD;nicotinamide 8-azidoadenine dinucleotide

Chemical Property of Nicotinamide 8-azidoadenine dinucleotide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 387.98000
• Density: g/cm³
• LogP: -0.62304
• XLogP3: -4.5
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 21
• Rotatable Bond Count: 12
• Exact Mass: 706.12616960
• Heavy Atom Count: 47
• Complexity: 1390

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C=CN(C=C1C(=O)N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C5=NC=NC(=C5N=C4N=[N+]=[N-])N)O)O)O)O
• Isomeric SMILES: C1C=CN(C=C1C(=O)N)[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)N4C5=NC=NC(=C5N=C4N=[N+]=[N-])N)O)O)O)O