ChemSpider 2D Image | (5E)-7-(5-Hydroxy-2-{(1E)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl}-3-oxocyclopentyl)-5-heptenoic acid | C23H27F3O6

(5E)-7-(5-Hydroxy-2-{(1E)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl}-3-oxocyclopentyl)-5-heptenoic acid

  • Molecular FormulaC23H27F3O6
  • Average mass456.452 Da
  • Monoisotopic mass456.175964 Da
  • ChemSpider ID115297258

  • Double-bond stereo - Double-bond stereo

More details:

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

(5E)-7-(5-Hydroxy-2-{(1E)-3-hydroxy-4-[3-(trifluormethyl)phenoxy]-1-buten-1-yl}-3-oxocyclopentyl)-5-heptensäure [German] [ACD/IUPAC Name]
(5E)-7-(5-Hydroxy-2-{(1E)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl}-3-oxocyclopentyl)-5-heptenoic acid [ACD/IUPAC Name]
5-Heptenoic acid, 7-[5-hydroxy-2-[(1E)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]-3-oxocyclopentyl]-, (5E)- [ACD/Index Name]
Acide (5E)-7-(5-hydroxy-2-{(1E)-3-hydroxy-4-[3-(trifluorométhyl)phénoxy]-1-butén-1-yl}-3-oxocyclopentyl)-5-hepténoïque [French] [ACD/IUPAC Name]
11-keto Fluprostenol
62145-07-7 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 627.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.6±3.0 kJ/mol
Flash Point: 333.2±31.5 °C
Index of Refraction: 1.567
Molar Refractivity: 112.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 2.42
ACD/LogD (pH 5.5): 1.63
ACD/BCF (pH 5.5): 6.48
ACD/KOC (pH 5.5): 77.74
ACD/LogD (pH 7.4): -0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.24
Polar Surface Area: 104 Å2
Polarizability: 44.4±0.5 10-24cm3
Surface Tension: 53.3±3.0 dyne/cm
Molar Volume: 342.7±3.0 cm3

Click to predict properties on the Chemicalize site


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