ChemSpider 2D Image | Fluprostenol methyl ester | C24H31F3O6

Fluprostenol methyl ester

  • Molecular FormulaC24H31F3O6
  • Average mass472.495 Da
  • Monoisotopic mass472.207275 Da
  • ChemSpider ID23222364

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 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,3R)-3-hydroxy-4-[3-(trifluorométhyl)phénoxy]-1-butén-1-yl}cyclopentyl]-5-hepténoate de méthyle [French] [ACD/IUPAC Name]
5-Heptenoic acid, 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]cyclopentyl]-, methyl ester, (5Z)- [ACD/Index Name]
73275-76-0 [RN]
Fluprostenol methyl ester
Methyl (5Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-{(1E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl}cyclopentyl]-5-heptenoate [ACD/IUPAC Name]
methyl (5Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-{(1E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-en-1-yl}cyclopentyl]hept-5-enoate
Methyl-(5Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-{(1E,3R)-3-hydroxy-4-[3-(trifluormethyl)phenoxy]-1-buten-1-yl}cyclopentyl]-5-heptenoat [German] [ACD/IUPAC Name]
5-Heptenoic acid, 7-(3,5-dihydroxy-2-(3-hydroxy-4-(3-(trifluoromethyl)phenoxy)-1-butenyl)cyclopentyl)-, methyl ester, (1R-(1-α(Z),2-β(1E,3R*),3-α,5-α))-
7-[(1R,2R,3R5S)-3,5-dihydroxy-2-[(1E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]-1-butenyl]cyclopentyl]-(5Z)-heptenoic acid, methyl ester
7-{3,5-Dihydroxy-2-[3-hydroxy-4-(3-trifluoromethyl-phenoxy)-but-1-enyl]-cyclopentyl}-hept-5-enoic acid methyl ester
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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: 568.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.8±3.0 kJ/mol
Flash Point: 297.8±30.1 °C
Index of Refraction: 1.555
Molar Refractivity: 118.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 3.10
ACD/LogD (pH 5.5): 3.25
ACD/BCF (pH 5.5): 174.08
ACD/KOC (pH 5.5): 1398.09
ACD/LogD (pH 7.4): 3.25
ACD/BCF (pH 7.4): 174.08
ACD/KOC (pH 7.4): 1398.09
Polar Surface Area: 96 Å2
Polarizability: 46.9±0.5 10-24cm3
Surface Tension: 43.1±3.0 dyne/cm
Molar Volume: 368.6±3.0 cm3

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