(3AR,4R,5R,6AS)-4-((E)-4,4-difluoro-3-oxooct-1-en-1-yl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl [1,1'-biphenyl]-4-carboxylate

Base Information

• Chemical Name: (3AR,4R,5R,6AS)-4-((E)-4,4-difluoro-3-oxooct-1-en-1-yl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl [1,1'-biphenyl]-4-carboxylate
• CAS No.: 118583-35-0
• Molecular Formula: C28H28F2O5
• Molecular Weight: 482.52
• UNII: SHY9CLU4W7
• Mol file: 118583-35-0.mol

Synonyms:118583-35-0;(3AR,4R,5R,6AS)-4-((E)-4,4-difluoro-3-oxooct-1-en-1-yl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl [1,1'-biphenyl]-4-carboxylate;[(3aR,4R,5R,6aS)-4-[(E)-4,4-difluoro-3-oxooct-1-enyl]-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] 4-phenylbenzoate;[1,1'-Biphenyl]-4-carboxylic acid [3aR-[3aa,4a(E),5b,6aa]]-4-(4,4-difluoro-3-oxo-1-octenyl)hexahydro-2-oxo-2H-cyclopenta[b]furan-5-yl ester;SHY9CLU4W7;(3aR,4R,5R,6aS)-4-[(1E)-4,4-difluoro-3-oxooct-1-en-1-yl]-2-oxo-hexahydro-2H-cyclopenta[b]furan-5-yl [1,1'-biphenyl]-4-carboxylate;AKOS015896653;AC-24766;A855018;J-501141;[1,1'-Biphenyl]-4-carboxylic acid, 4-(4,4-difluoro-3-oxo-1-octenyl)hexahydro-2-oxo-2H-cyclopenta[b]furan-5-yl ester, [3aR-[3aalpha,4alpha(E),5beta,6aalpha]]-

Chemical Property of (3AR,4R,5R,6AS)-4-((E)-4,4-difluoro-3-oxooct-1-en-1-yl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl [1,1'-biphenyl]-4-carboxylate

Chemical Property:

• Boiling Point: 619.133 °C at 760 mmHg
• Flash Point: 315.956 °C
• PSA: 69.67000
• Density: 1.266 g/cm³
• LogP: 5.78140
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 10
• Exact Mass: 482.19048031
• Heavy Atom Count: 35
• Complexity: 795

Purity/Quality:

99% ^*data from raw suppliers

Lubiprostone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(C(=O)C=CC1C(CC2C1CC(=O)O2)OC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)(F)F
• Isomeric SMILES: CCCCC(C(=O)/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1CC(=O)O2)OC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)(F)F