Cosmomycin B

Base Information

• Chemical Name: Cosmomycin B
• CAS No.: 77517-27-2
• Molecular Formula: C₄₀H₅₃NO₁₄
• Molecular Weight: 771.859
• UNII: VFY8ZMN4RJ
• DSSTox Substance ID: DTXSID80228220
• Nikkaji Number: J92.039H
• Wikipedia: Cosmomycin B
• Wikidata: Q15410918
• Metabolomics Workbench ID: 105947
• Mol file: 77517-27-2.mol

Synonyms:cosmomycin B;rhodilunancin B

Chemical Property of Cosmomycin B

Chemical Property:

• Vapor Pressure: 1.95E-34mmHg at 25°C
• Boiling Point: 895.1°C at 760 mmHg
• Flash Point: 495.1°C
• Density: 1.44g/cm³
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 8
• Exact Mass: 771.34660536
• Heavy Atom Count: 55
• Complexity: 1370

Purity/Quality:

COSMOMYCIN B 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC1(CCC2=C(C1OC3CC(C(C(O3)C)OC4CC(C(C(O4)C)OC5CCC(C(O5)C)O)O)N(C)C)C(=C6C(=C2O)C(=O)C7=C(C6=O)C=CC=C7O)O)O
• Isomeric SMILES: CC[C@]1(CCC2=C([C@H]1O[C@H]3C[C@@H]([C@@H]([C@@H](O3)C)O[C@H]4C[C@@H]([C@@H]([C@@H](O4)C)O[C@H]5CC[C@@H]([C@@H](O5)C)O)O)N(C)C)C(=C6C(=C2O)C(=O)C7=C(C6=O)C=CC=C7O)O)O