Antibiotic 167A

Base Information

• Chemical Name: Antibiotic 167A
• CAS No.: 113537-08-9
• Molecular Formula: C28H19 N O9
• Molecular Weight: 513.4518
• DSSTox Substance ID: DTXSID50921099
• Nikkaji Number: J576.182D
• Wikidata: Q77496452
• Metabolomics Workbench ID: 108791
• Mol file: 113537-08-9.mol

Synonyms:167-A;18-O-demethylcervinomycin A2

Chemical Property of Antibiotic 167A

Chemical Property:

• Melting Point: >260 °C (decomp)
• Boiling Point: 839.7±65.0 °C(Predicted)
• PSA: 143.58000
• Density: 1.71±0.1 g/cm3(Predicted)
• LogP: 2.82400
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 1
• Exact Mass: 513.10598118
• Heavy Atom Count: 38
• Complexity: 1150

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CC3=C(C(=C4C(=C3)C=CC5=C4C(=O)C6=C(C5=O)OC7=CC(=C(C=C7C6=O)O)OC)O)C(=O)N1CCO2

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