5'-Phosphopyridoxyl-7-azatryptophan

Base Information

• Chemical Name: 5'-Phosphopyridoxyl-7-azatryptophan
• CAS No.: 157117-38-9
• Molecular Formula: C18H21 N4 O7 P
• Molecular Weight: 436.36
• DSSTox Substance ID: DTXSID30935614
• Mol file: 157117-38-9.mol

Synonyms:5'-phosphopyridoxyl-7-azatryptophan;5-PPAT

Chemical Property of 5'-Phosphopyridoxyl-7-azatryptophan

Chemical Property:

• Boiling Point: 843.2°Cat760mmHg
• PKA: 1.57±0.10(Predicted)
• Flash Point: 463.7°C
• PSA: 187.70000
• Density: 1.585g/cm³
• LogP: 1.75760
• XLogP3: -2.5
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 9
• Exact Mass: 436.11478602
• Heavy Atom Count: 30
• Complexity: 636

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC=C(C(=C1O)CNC(CC2=CNC3=C2C=CC=N3)C(=O)O)COP(=O)(O)O