Destruxin B, 1-L-2-piperidinecarboxylic acid-

Base Information

• Chemical Name: Destruxin B, 1-L-2-piperidinecarboxylic acid-
• CAS No.: 79386-01-9
• Molecular Formula: C31H53 N5 O7
• Molecular Weight: 607.79
• DSSTox Substance ID: DTXSID501000440
• Mol file: 79386-01-9.mol

Synonyms:destruxin B1

Chemical Property of Destruxin B, 1-L-2-piperidinecarboxylic acid-

Chemical Property:

• Vapor Pressure: 1.4E-31mmHg at 25°C
• Boiling Point: 880.9°C at 760 mmHg
• Flash Point: 486.6°C
• Density: 1.16g/cm³
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 607.39449905
• Heavy Atom Count: 43
• Complexity: 1030

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC(C)C1C(=O)N(C(C(=O)N(C(C(=O)NCCC(=O)OC(C(=O)N2CCCCC2C(=O)N1)C(C)CC)C)C)C(C)C)C
• Isomeric SMILES: CC[C@H](C)[C@H]1C(=O)N([C@H](C(=O)N([C@H](C(=O)NCCC(=O)O[C@@H](C(=O)N2CCCC[C@H]2C(=O)N1)C(C)CC)C)C)C(C)C)C