Mycosubtilin

Base Information

• Chemical Name: Mycosubtilin
• CAS No.: 1392-60-5
• Deprecated CAS: 59112-50-4
• Molecular Formula: C55H86N14O16
• Molecular Weight: 1199.35554
• DSSTox Substance ID: DTXSID501028303
• Wikipedia: Mycosubtilin
• Wikidata: Q19361671
• Mol file: 1392-60-5.mol

Synonyms:mycosubtilin;mycosubtiline

Chemical Property of Mycosubtilin

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1735.3°Cat760mmHg
• Flash Point: 1003.3°C
• Density: 1.36g/cm³
• XLogP3: -2
• Hydrogen Bond Donor Count: 15
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 26
• Exact Mass: 1198.63462271
• Heavy Atom Count: 85
• Complexity: 2350

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC(C)CCCCCCCCCCC1CC(=O)NC(C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC(=O)N)CO)CC(=O)N)CC(=O)N)CC3=CC=C(C=C3)O)CCC(=O)N)CC(=O)N
• Isomeric SMILES: CCC(C)CCCCCCCCCCC1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CC(=O)N)CO)CC(=O)N)CC(=O)N)CC3=CC=C(C=C3)O)CCC(=O)N)CC(=O)N