Pyralomicin 1a

Base Information

• Chemical Name: Pyralomicin 1a
• CAS No.: 139636-03-6
• Molecular Formula: C20H19 Cl2 N O7
• Molecular Weight: 456.2734
• DSSTox Substance ID: DTXSID30161138
• Wikidata: Q76278632
• Metabolomics Workbench ID: 105882

Synonyms:pyralomicin 1a

Chemical Property of Pyralomicin 1a

Chemical Property:

• Vapor Pressure: 1.75E-15mmHg at 25°C
• Boiling Point: 604.9°Cat760mmHg
• Flash Point: 319.6°C
• Density: 1.7g/cm³
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 455.0538573
• Heavy Atom Count: 30
• Complexity: 709

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C2=C1OC3=C(C2=O)C=C(N3C4C=C(C(C(C4O)O)OC)CO)Cl)O)Cl
• Isomeric SMILES: CC1=CC(=C(C2=C1OC3=C(C2=O)C=C(N3[C@@H]4C=C([C@H]([C@@H]([C@H]4O)O)OC)CO)Cl)O)Cl

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