Taxiresinol

Base Information

• Chemical Name: Taxiresinol
• CAS No.: 40951-69-7
• Molecular Formula: C19H22O6
• Molecular Weight: 346.37
• Wikidata: Q27138536
• Metabolomics Workbench ID: 124027
• ChEMBL ID: CHEMBL1668114
• Mol file: 40951-69-7.mol

Synonyms:taxiresinol

Chemical Property of Taxiresinol

Chemical Property:

• PSA: 99.38000
• LogP: 2.35070
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 346.14163842
• Heavy Atom Count: 25
• Complexity: 419

Purity/Quality:

99% ^*data from raw suppliers

Taxiresinol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)CC2COC(C2CO)C3=CC(=C(C=C3)O)O)O
• Isomeric SMILES: COC1=C(C=CC(=C1)C[C@H]2CO[C@@H]([C@H]2CO)C3=CC(=C(C=C3)O)O)O