PR Toxin

Base Information

• Chemical Name: PR Toxin
• CAS No.: 56299-00-4
• Molecular Formula: C17H20O6
• Molecular Weight: 320.37
• UNII: F9W0X88AFM
• DSSTox Substance ID: DTXSID40971740
• Nikkaji Number: J86.060C
• Wikipedia: PR_toxin
• Wikidata: Q26841183
• Metabolomics Workbench ID: 68735
• ChEMBL ID: CHEMBL4176158
• Mol file: 56299-00-4.mol

Synonyms:Penicillium roqueforti toxin;PR Toxin;PR-toxin

Chemical Property of PR Toxin

Chemical Property:

• Melting Point: 156°C
• Refractive Index: 1.4800 (estimate)
• Boiling Point: 379.24°C (rough estimate)
• PSA: 85.50000
• Density: 1.1895 (rough estimate)
• LogP: 0.96730
• Storage Temp.: -20°C
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 320.12598835
• Heavy Atom Count: 23
• Complexity: 668

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Hazard Codes: T
• Statements: 23/24/25
• Safety Statements: 36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Biological Agents -> Mycotoxins
• Canonical SMILES: CC1C(C2C(O2)C3=CC(=O)C4(CC13C)C(O4)(C)C=O)OC(=O)C
• Isomeric SMILES: C[C@H]1[C@H]([C@@H]2[C@@H](O2)C3=CC(=O)[C@@]4(C[C@]13C)[C@@](O4)(C)C=O)OC(=O)C