Tetracenomycin B3

Base Information

• Chemical Name: Tetracenomycin B3
• CAS No.: 117241-62-0
• Molecular Formula: C21H14 O8
• Molecular Weight: 394.33
• DSSTox Substance ID: DTXSID70151730
• Nikkaji Number: J575.134I
• Wikidata: Q27114816
• Metabolomics Workbench ID: 54506
• Mol file: 117241-62-0.mol

Synonyms:tetracenomycin B(3);tetracenomycin B3

Chemical Property of Tetracenomycin B3

Chemical Property:

• Vapor Pressure: 1.96E-21mmHg at 25°C
• Boiling Point: 714.6°C at 760 mmHg
• Flash Point: 259.2°C
• PSA: 141.36000
• Density: 1.634g/cm³
• LogP: 2.74720
• XLogP3: 4
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 394.06886740
• Heavy Atom Count: 29
• Complexity: 707

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=CC2=CC3=C(C(=C12)O)C(=O)C4=C(C3=O)C=C(C=C4O)OC)O)C(=O)O

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