Lyngbyatoxin C

Base Information

• Chemical Name: Lyngbyatoxin C
• CAS No.: 133084-53-4
• Molecular Formula: C27H39 N3 O3
• Molecular Weight: 453.62
• DSSTox Substance ID: DTXSID701046143
• Nikkaji Number: J546.814K
• Wikidata: Q76386807
• Metabolomics Workbench ID: 141516
• ChEMBL ID: CHEMBL517150
• Mol file: 133084-53-4.mol

Synonyms:lyngbyatoxin C

Chemical Property of Lyngbyatoxin C

Chemical Property:

• Vapor Pressure: 1.27E-19mmHg at 25°C
• Boiling Point: 683.6°Cat760mmHg
• Flash Point: 367.2°C
• PSA: 92.08000
• Density: 1.105g/cm³
• LogP: 4.16370
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 453.29914211
• Heavy Atom Count: 33
• Complexity: 736

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1C(=O)NC(CC2=CNC3=C(C=CC(=C23)N1C)C(C)(CC=CC(C)(C)O)C=C)CO
• Isomeric SMILES: CC(C)[C@H]1C(=O)N[C@@H](CC2=CNC3=C(C=CC(=C23)N1C)[C@](C)(C/C=C/C(C)(C)O)C=C)CO

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