ChemSpider 2D Image | (8beta,11alpha)-16,16-Difluoro-11-hydroxy-9,15-dioxoprostan-1-oic acid | C20H32F2O5

(8β,11α)-16,16-Difluoro-11-hydroxy-9,15-dioxoprostan-1-oic acid

  • Molecular FormulaC20H32F2O5
  • Average mass390.462 Da
  • Monoisotopic mass390.221771 Da
  • ChemSpider ID71061424
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(8β,11α)-16,16-Difluor-11-hydroxy-9,15-dioxoprostan-1-säure [German] [ACD/IUPAC Name]
(8β,11α)-16,16-Difluoro-11-hydroxy-9,15-dioxoprostan-1-oic acid [ACD/IUPAC Name]
Acide (8β,11α)-16,16-difluoro-11-hydroxy-9,15-dioxoprostan-1-oïque [French] [ACD/IUPAC Name]
Prostan-1-oic acid, 16,16-difluoro-11-hydroxy-9,15-dioxo-, (8β,11α)- [ACD/Index Name]
7-((1S,2R,3R)-2-(4,4-Difluoro-3-oxooctyl)-3-hydroxy-5-oxocyclopentyl)heptanoic acid

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 539.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 93.9±6.0 kJ/mol
Flash Point: 279.9±30.1 °C
Index of Refraction: 1.476
Molar Refractivity: 96.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 0
ACD/LogP: 1.99
ACD/LogD (pH 5.5): 1.48
ACD/BCF (pH 5.5): 5.04
ACD/KOC (pH 5.5): 65.63
ACD/LogD (pH 7.4): -0.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.05
Polar Surface Area: 92 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 40.1±3.0 dyne/cm
Molar Volume: 341.6±3.0 cm3

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