ChemSpider 2D Image | (11beta,15R)-16,16-Difluoro-15-hydroxy-9-oxo-11,15-epoxyprostan-1-oic acid | C20H32F2O5

(11β,15R)-16,16-Difluoro-15-hydroxy-9-oxo-11,15-epoxyprostan-1-oic acid

  • Molecular FormulaC20H32F2O5
  • Average mass390.462 Da
  • Monoisotopic mass390.221771 Da
  • ChemSpider ID58131803

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(11β,15R)-16,16-Difluor-15-hydroxy-9-oxo-11,15-epoxyprostan-1-säure [German] [ACD/IUPAC Name]
(11β,15R)-16,16-Difluoro-15-hydroxy-9-oxo-11,15-epoxyprostan-1-oic acid [ACD/IUPAC Name]
Acide (11β,15R)-16,16-difluoro-15-hydroxy-9-oxo-11,15-époxyprostan-1-oïque [French] [ACD/IUPAC Name]
Prostan-1-oic acid, 11,15-epoxy-16,16-difluoro-15-hydroxy-9-oxo-, (11β,15R)- [ACD/Index Name]
333963-40-9 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL3348939/
Lubiprostone [Wiki]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 532.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 92.9±6.0 kJ/mol
Flash Point: 275.7±30.1 °C
Index of Refraction: 1.486
Molar Refractivity: 95.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 2.85
ACD/LogD (pH 5.5): 2.06
ACD/BCF (pH 5.5): 13.98
ACD/KOC (pH 5.5): 136.14
ACD/LogD (pH 7.4): 0.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.18
Polar Surface Area: 84 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 41.3±3.0 dyne/cm
Molar Volume: 332.0±3.0 cm3

Click to predict properties on the Chemicalize site


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