Sapurimycin

Base Information

• Chemical Name: Sapurimycin
• CAS No.: 132609-35-9
• Deprecated CAS: 133021-37-1
• Molecular Formula: C25H18O9
• Molecular Weight: 462.405
• UNII: F73E77YAD2
• DSSTox Substance ID: DTXSID901043826
• Nikkaji Number: J3.079.546F
• Wikidata: Q76386672
• Metabolomics Workbench ID: 98595

Synonyms:sapurimycin

Chemical Property of Sapurimycin

Chemical Property:

• Boiling Point: 796.9°Cat760mmHg
• Flash Point: 278.8°C
• Density: 1.643g/cm³
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 462.09508215
• Heavy Atom Count: 34
• Complexity: 998

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MSDS Files:

Useful:

• Canonical SMILES: CC=CC1C(O1)(C)C2=CC(=O)C3=C(O2)C4=C(C=C3CC(=O)O)C(=O)C5=C(C=CC(=C5C4=O)O)O
• Isomeric SMILES: C/C=C\[C@H]1[C@@](O1)(C)C2=CC(=O)C3=C(O2)C4=C(C=C3CC(=O)O)C(=O)C5=C(C=CC(=C5C4=O)O)O

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