Luffariolide F

Base Information

• Chemical Name: Luffariolide F
• CAS No.: 147663-78-3
• Molecular Formula: C25H38 O5
• Molecular Weight: 418.57
• Metabolomics Workbench ID: 141820
• ChEMBL ID: CHEMBL519166
• Mol file: 147663-78-3.mol

Synonyms:luffariolide F

Chemical Property of Luffariolide F

Chemical Property:

• Boiling Point: 617.6±55.0 °C(Predicted)
• PKA: 14.30±0.10(Predicted)
• PSA: 86.99000
• Density: 1.090±0.06 g/cm3(Predicted)
• LogP: 4.14340
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 418.27192431
• Heavy Atom Count: 30
• Complexity: 739

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(CCC1O)(C)C)CCC(=CCCC(=CCC2C(=CC(=O)O2)CO)CO)C
• Isomeric SMILES: CC1=C(C(CCC1O)(C)C)CC/C(=C/CC/C(=C/CC2C(=CC(=O)O2)CO)/CO)/C