Phallisin

Base Information

• Chemical Name: Phallisin
• CAS No.: 19774-69-7
• Molecular Formula: C35H48 N8 O12 S
• Molecular Weight: 804.87
• DSSTox Substance ID: DTXSID501046161
• Wikidata: Q104253115
• Mol file: 19774-69-7.mol

Synonyms:phallisin

Chemical Property of Phallisin

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1444.1°Cat760mmHg
• PKA: 12.94±0.70(Predicted)
• Flash Point: 827.1°C
• PSA: 337.15000
• Density: 1.55g/cm³
• LogP: -2.86260
• XLogP3: -2.7
• Hydrogen Bond Donor Count: 12
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 5
• Exact Mass: 804.31124017
• Heavy Atom Count: 56
• Complexity: 1520

Purity/Quality:

PHALLISIN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(=O)NC2CC3=C(NC4=CC=CC=C34)SCC(C(=O)N5CC(CC5C(=O)N1)O)NC(=O)C(NC(=O)C(NC(=O)C(NC2=O)CC(CO)(CO)O)C)C(C)O