Simaomicin alpha

Base Information

• Chemical Name: Simaomicin alpha
• CAS No.: 100157-22-0
• Molecular Formula: C28H25 N O10
• Molecular Weight: 535.4988
• DSSTox Substance ID: DTXSID30905231
• Wikidata: Q77379310
• Metabolomics Workbench ID: 112663
• Mol file: 100157-22-0.mol

Synonyms:LL D42067 alpha;LL-D42067alpha;simaomicin alpha

Chemical Property of Simaomicin alpha

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 949.6°Cat760mmHg
• Flash Point: 528.1°C
• PSA: 160.82000
• Density: 1.71g/cm³
• LogP: 2.86440
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 1
• Exact Mass: 535.14784599
• Heavy Atom Count: 39
• Complexity: 1140

Purity/Quality:

99% ，98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C(=C3C4=C2OCOC4CC5=C3C(=C6C(=C5OC)OC7=C(C6=O)C(CCC7O)O)O)O)C(=O)N1C

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