Kahalalide F

Base Information

• Chemical Name: Kahalalide F
• CAS No.: 149204-42-2
• Molecular Formula: C75H124N14O16
• Molecular Weight: 1477.89
• NSC Number: 668814
• UNII: BQD6E2ZXEA
• DSSTox Substance ID: DTXSID301031233
• Wikidata: Q27274814
• Metabolomics Workbench ID: 141207
• ChEMBL ID: CHEMBL513639
• Mol file: 149204-42-2.mol

Synonyms:kahalalide F

Chemical Property of Kahalalide F

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.564
• Boiling Point: 1630.205 °C at 760 mmHg
• Flash Point: 939.714 °C
• PSA: 442.06000
• Density: 1.2 g/cm³
• LogP: 6.85490
• XLogP3: 7.4
• Hydrogen Bond Donor Count: 14
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 33
• Exact Mass: 1476.93197392
• Heavy Atom Count: 105
• Complexity: 2990

Purity/Quality:

99% ^*data from raw suppliers

KAHALALIDE F 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(=CC)C(=O)NC(C(=O)OC(C(C(=O)N1)NC(=O)C(C(C)CC)NC(=O)C(CCCN)NC(=O)C2CCCN2C(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)C(C(C)O)NC(=O)C(C(C)C)NC(=O)CCCC(C)C)C)C(C)C)CC3=CC=CC=C3)C(C)C
• Isomeric SMILES: CC[C@H](C)[C@@H]1C(=O)N[C@@H](C(=O)N[C@H](C(=O)N/C(=C\C)/C(=O)N[C@H](C(=O)O[C@@H]([C@H](C(=O)N1)NC(=O)[C@@H]([C@@H](C)CC)NC(=O)[C@H](CCCN)NC(=O)[C@H]2CCCN2C(=O)[C@@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](C(C)C)NC(=O)CCCC(C)C)C)C(C)C)CC3=CC=CC=C3)C(C)C