ChemSpider 2D Image | 15-keto Fluprostenol | C23H27F3O6

15-keto Fluprostenol

  • Molecular FormulaC23H27F3O6
  • Average mass456.452 Da
  • Monoisotopic mass456.175964 Da
  • ChemSpider ID45743371

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(5Z)-7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-{(1E)-3-oxo-4-[3-(trifluormethyl)phenoxy]-1-buten-1-yl}cyclopentyl]-5-heptensäure [German] [ACD/IUPAC Name]
(5Z)-7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-{(1E)-3-oxo-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl}cyclopentyl]-5-heptenoic acid [ACD/IUPAC Name]
15-keto Fluprostenol
5-Heptenoic acid, 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E)-3-oxo-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]cyclopentyl]-, (5Z)- [ACD/Index Name]
Acide (5Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-{(1E)-3-oxo-4-[3-(trifluorométhyl)phénoxy]-1-butén-1-yl}cyclopentyl]-5-hepténoïque [French] [ACD/IUPAC Name]
(?)15-oxo-9?,11?-dihydroxy-16,16-(3-(trifluoromethyl)phenoxy)-17,18,19,20-tetranor-prosta-5Z,13E-dien-1-oic acid
(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E)-3-oxo-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoic acid
943825-60-3 [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: 600.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.0±3.0 kJ/mol
Flash Point: 316.9±31.5 °C
Index of Refraction: 1.568
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: 2.39
ACD/LogD (pH 5.5): 1.80
ACD/BCF (pH 5.5): 8.81
ACD/KOC (pH 5.5): 97.06
ACD/LogD (pH 7.4): 0.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.55
Polar Surface Area: 104 Å2
Polarizability: 44.4±0.5 10-24cm3
Surface Tension: 46.1±3.0 dyne/cm
Molar Volume: 342.5±3.0 cm3

Click to predict properties on the Chemicalize site


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