Melitin

Base Information

• Chemical Name: Melitin
• CAS No.: 81944-31-2
• Molecular Formula: C39H50O24
• Molecular Weight: 902.7999
• DSSTox Substance ID: DTXSID601002332
• Wikidata: Q82996475
• Mol file: 81944-31-2.mol

Synonyms:Brucella melitensis M antigen;M antigen, Brucella melitensis;melitin;melitine

Chemical Property of Melitin

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1219.1°Cat760mmHg
• Flash Point: 367.2°C
• PSA: 387.27000
• Density: 1.78g/cm³
• LogP: -5.06780
• XLogP3: -3.8
• Hydrogen Bond Donor Count: 14
• Hydrogen Bond Acceptor Count: 24
• Rotatable Bond Count: 11
• Exact Mass: 902.26920246
• Heavy Atom Count: 63
• Complexity: 1570

Purity/Quality:

98.5% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OC2C(C(OC(C2O)OC3=CC(=C4C(=C3)OC(=C(C4=O)OC5C(C(C(C(O5)COC6C(C(C(C(O6)CO)O)O)O)O)O)O)C7=CC=C(C=C7)O)O)C)O)O)O)O