ChemSpider 2D Image | 9-keto Fluprostenol | C23H27F3O6

9-keto Fluprostenol

  • Molecular FormulaC23H27F3O6
  • Average mass456.452 Da
  • Monoisotopic mass456.175964 Da
  • ChemSpider ID32818676

  • 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)-3-Hydroxy-2-{(1E,3R)-3-hydroxy-4-[3-(trifluormethyl)phenoxy]-1-buten-1-yl}-5-oxocyclopentyl]-5-heptensäure [German] [ACD/IUPAC Name]
(5Z)-7-[(1R,2R,3R)-3-Hydroxy-2-{(1E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl}-5-oxocyclopentyl]-5-heptenoic acid [ACD/IUPAC Name]
156406-33-6 [RN]
5-Heptenoic acid, 7-[(1R,2R,3R)-3-hydroxy-2-[(1E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]-5-oxocyclopentyl]-, (5Z)- [ACD/Index Name]
9-keto Fluprostenol
Acide (5Z)-7-[(1R,2R,3R)-3-hydroxy-2-{(1E,3R)-3-hydroxy-4-[3-(trifluorométhyl)phénoxy]-1-butén-1-yl}-5-oxocyclopentyl]-5-hepténoïque [French] [ACD/IUPAC Name]
(?)-9-oxo-11?,15R-dihydroxy-16-(3-(trifluoromethyl)phenoxy)-17,18,19,20-tetranor-prosta-5Z,13E-dien-1-oic acid
(±)-9-OXO-11A,15R-DIHYDROXY-16-(3-(TRIFLUOROMETHYL)PHENOXY)-17,18,19,20-TETRANOR-PROSTA-5Z,13E-DIEN-1-OIC ACID
(Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid
[156406-33-6] [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 607.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.9±3.0 kJ/mol
Flash Point: 321.3±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: 2.28
ACD/LogD (pH 5.5): 1.66
ACD/BCF (pH 5.5): 6.82
ACD/KOC (pH 5.5): 80.49
ACD/LogD (pH 7.4): -0.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.28
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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