Callystatin A

Base Information

• Chemical Name: Callystatin A
• CAS No.: 189883-16-7
• Molecular Formula: C29H44O4
• Molecular Weight: 456.6573
• UNII: ZLK7N2R2D6
• ChEMBL ID: CHEMBL200899
• DSSTox Substance ID: DTXSID501029737
• Metabolomics Workbench ID: 126103
• Nikkaji Number: J1.438.177E
• NSC Number: 708248
• Wikidata: Q5023018
• Wikipedia: Callystatin_A
• Mol file: 189883-16-7.mol

Synonyms:20-epi-callystatin A;callystatin A

Chemical Property of Callystatin A

Chemical Property:

• Vapor Pressure: 4.49E-18mmHg at 25°C
• Boiling Point: 622°Cat760mmHg
• Flash Point: 196°C
• Density: 1.022g/cm³
• XLogP3: 7.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 13
• Exact Mass: 456.32395988
• Heavy Atom Count: 33
• Complexity: 783

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)C(C(C)C(=O)C(C)C=C(C)C=CCC(C)C=C(CC)C=CC1CC=CC(=O)O1)O
• Isomeric SMILES: CC[C@H](C)[C@H]([C@H](C)C(=O)[C@H](C)/C=C(\C)/C=C/C[C@@H](C)/C=C(/CC)\C=C\[C@H]1CC=CC(=O)O1)O