Phaseolotoxin

Base Information

• Chemical Name: Phaseolotoxin
• CAS No.: 62249-77-8
• Molecular Formula: C15H34N9O8PS
• Molecular Weight: 516.5134
• DSSTox Substance ID: DTXSID50974727
• Mol file: 62249-77-8.mol

Synonyms:Ndelta-(N'-sulphodiaminophosphinyl)-ornithyl-alanyl-homoarginine;phaseolotoxin;phaseotoxin

Chemical Property of Phaseolotoxin

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 323.13000
• Density: 1.77g/cm³
• LogP: 2.10610
• XLogP3: -7
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 17
• Exact Mass: 531.19886725
• Heavy Atom Count: 34
• Complexity: 876

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)NC(CCCCN=C(N)N)C(=O)O)NC(=O)C(CCCNP(=O)(N)NS(=O)(=O)O)N
• Isomeric SMILES: C[C@H](C(=O)N[C@H](CCCCN=C(N)N)C(=O)O)NC(=O)[C@@H](CCCNP(=O)(N)NS(=O)(=O)O)N