Mycotoxin 81

Base Information

• Chemical Name: Mycotoxin 81
• CAS No.: 93513-59-8
• Deprecated CAS: 82197-56-6
• Molecular Formula: C22H18 O7
• Molecular Weight: 394.377
• DSSTox Substance ID: DTXSID60918359
• Wikipedia: MT81
• Wikidata: Q15425816
• Mol file: 93513-59-8.mol

Synonyms:1,5-dihydroxy-3-methyl-8-((2,6,7,7a-tetrahydro-4H-furo(3,2c)pyran-4-yl)oxy)-9,10-anthracenedione;MT-81 toxin

Chemical Property of Mycotoxin 81

Chemical Property:

• Vapor Pressure: 1.93E-20mmHg at 25°C
• Melting Point: 300 °C
• Refractive Index: 1.709
• Boiling Point: 703.4°C at 760 mmHg
• Flash Point: 253.7°C
• PSA: 102.29000
• Density: 1.54g/cm³
• LogP: 2.63200
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 394.10525291
• Heavy Atom Count: 29
• Complexity: 718

Purity/Quality:

95% ^*data from raw suppliers

9,10-ANTHRACENEDIONE, 1,5-DIHYDROXY-3-METHYL-8-((2,6,7,7A-TETRAHYDRO-4 H-FURO(3,2-C)PYRAN-4-YL)OXY)- 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC1=CC2=C(C(=C1)O)C(=O)C3=C(C=CC(=C3C2=O)O)OC4C5=CCOC5CCO4

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