cyclo[DL-Asp-DL-Leu-DL-Leu-ObAla(3-isododecyl)-DL-Glu-DL-Leu-DL-Leu-DL-Val]

Base Information

• Chemical Name: cyclo[DL-Asp-DL-Leu-DL-Leu-ObAla(3-isododecyl)-DL-Glu-DL-Leu-DL-Leu-DL-Val]
• CAS No.: 24730-31-2
• Molecular Formula: C53H93 N7 O13
• Molecular Weight: 1036.3446
• European Community (EC) Number: 607-428-2
• Metabolomics Workbench ID: 174048
• Wikidata: Q104172558
• Wikipedia: Surfactin
• Mol file: 24730-31-2.mol

Synonyms:surfactin C;surfactin peptide

Chemical Property of cyclo[DL-Asp-DL-Leu-DL-Leu-ObAla(3-isododecyl)-DL-Glu-DL-Leu-DL-Leu-DL-Val]

Chemical Property:

• Appearance/Colour: off-white powder
• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1268.3°Cat760mmHg
• PKA: 4.00±0.10(Predicted)
• Flash Point: 720.8°C
• PSA: 304.60000
• Density: 1.037g/cm³
• LogP: 7.34390
• Storage Temp.: 2-8°C
• Solubility.: ethanol: 10 mg/mL, clear, slightly yellow
• XLogP3: 8.8
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 24
• Exact Mass: 1035.68313605
• Heavy Atom Count: 73
• Complexity: 1800

Purity/Quality:

98%, ^*data from raw suppliers

Surfactin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)CCCCCCCCCC1CC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O
• Uses: Surfactin is a lipopeptide antibiotic and biosurfactant.