7-[(1R,2R,3R)-2-(4,4-difluoro-3-hydroxyoctyl)-3-hydroxy-5-oxocyclopentyl]heptanoic acid

Base Information

• Chemical Name: 7-[(1R,2R,3R)-2-(4,4-difluoro-3-hydroxyoctyl)-3-hydroxy-5-oxocyclopentyl]heptanoic acid
• CAS No.: 475992-30-4
• Molecular Formula: C20H34F2O5
• Molecular Weight: 392.48
• UNII: E6ED27K8BN
• Mol file: 475992-30-4.mol

Synonyms:Lubiprostone metabolite M3;E6ED27K8BN;475992-30-4;UNII-E6ED27K8BN;7-[(1R,2R,3R)-2-(4,4-difluoro-3-hydroxyoctyl)-3-hydroxy-5-oxocyclopentyl]heptanoic acid;(11alpha)-16,16-Difluoro-11,15-dihydroxy-9-oxoprostan-1-oic acid;Prostan-1-oic acid, 16,16-difluoro-11,15-dihydroxy-9-oxo-, (11alpha)-;SCHEMBL13993460;PNVYHTHOCKTJCO-MWPGWRTMSA-N;AKOS030240646;PD124489;(11.ALPHA.)-16,16-DIFLUORO-11,15-DIHYDROXY-9-OXOPROSTAN-1-OIC ACID;PROSTAN-1-OIC ACID, 16,16-DIFLUORO-11,15-DIHYDROXY-9-OXO-, (11.ALPHA.)-

Chemical Property of 7-[(1R,2R,3R)-2-(4,4-difluoro-3-hydroxyoctyl)-3-hydroxy-5-oxocyclopentyl]heptanoic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 559.846°C at 760 mmHg
• Flash Point: 292.384°C
• PSA: 94.83000
• Density: 1.146g/cm³
• LogP: 3.94430
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 14
• Exact Mass: 392.23743050
• Heavy Atom Count: 27
• Complexity: 469

Purity/Quality:

97% ^*data from raw suppliers

13,14-dihydro-16,16-difluoro Prostaglandin E1 ≥98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(C(CCC1C(CC(=O)C1CCCCCCC(=O)O)O)O)(F)F
• Isomeric SMILES: CCCCC(C(CC[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)O)O)O)(F)F