Protophomine

Base Information

• Chemical Name: Protophomine
• CAS No.: 52212-93-8
• Molecular Formula: C29H35 N O3
• Molecular Weight: 445.59
• Metabolomics Workbench ID: 112448
• Mol file: 52212-93-8.mol

Synonyms:16-methyl-10-phenyl-(13)-cytochalasa-5(6),13,21- trien-1,7,23-trione;protophomine

Chemical Property of Protophomine

Chemical Property:

• Vapor Pressure: 1.56E-17mmHg at 25°C
• Boiling Point: 664.7°Cat760mmHg
• PKA: 14.04±0.70(Predicted)
• Flash Point: 187.8°C
• PSA: 66.73000
• Density: 1.14g/cm³
• LogP: 5.42300
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 445.26169398
• Heavy Atom Count: 33
• Complexity: 875

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCCCC=CC(=O)C23C(C=CC1)C(=O)C(=C(C2C(NC3=O)CC4=CC=CC=C4)C)C
• Isomeric SMILES: CC1CCCC/C=C/C(=O)C23C(/C=C/C1)C(=O)C(=C(C2C(NC3=O)CC4=CC=CC=C4)C)C