Isoannonacin

Base Information

• Chemical Name: Isoannonacin
• CAS No.: 170900-30-8
• Molecular Formula: C35H64O7
• Molecular Weight: 596.8785
• NSC Number: 618571
• DSSTox Substance ID: DTXSID50937857
• Wikidata: Q57617619
• Metabolomics Workbench ID: 75595
• ChEMBL ID: CHEMBL446074
• Mol file: 170900-30-8.mol

Synonyms:annonacin-A-one;annonacin-A-one, ((2,4-cis)-10R)-isomer

Chemical Property of Isoannonacin

Chemical Property:

• Vapor Pressure: 8.78E-26mmHg at 25°C
• Boiling Point: 747.4°Cat760mmHg
• Flash Point: 223.8°C
• PSA: 113.29000
• Density: 1.033g/cm³
• LogP: 7.34940
• XLogP3: 8.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 26
• Exact Mass: 596.46520438
• Heavy Atom Count: 42
• Complexity: 714

Purity/Quality:

99% ^*data from raw suppliers

ANNONACIN-ALPHA-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCC(C1CCC(O1)C(CCCCC(CCCCCC2CC(C(=O)O2)CC(=O)C)O)O)O