ChemSpider 2D Image | Methyl (2E,5Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-{(1E,3S)-3-hydroxy-3-[3-(trifluoromethyl)phenoxy]-1-propen-1-yl}cyclopentyl]-2,5-heptadienoate | C23H27F3O6

Methyl (2E,5Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-{(1E,3S)-3-hydroxy-3-[3-(trifluoromethyl)phenoxy]-1-propen-1-yl}cyclopentyl]-2,5-heptadienoate

  • Molecular FormulaC23H27F3O6
  • Average mass456.452 Da
  • Monoisotopic mass456.175964 Da
  • ChemSpider ID23222352

  • 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

(2E,5Z)-7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-{(1E,3S)-3-hydroxy-3-[3-(trifluorométhyl)phénoxy]-1-propén-1-yl}cyclopentyl]-2,5-heptadiénoate de méthyle [French] [ACD/IUPAC Name]
2,5-Heptadienoic acid, 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxy-3-[3-(trifluoromethyl)phenoxy]-1-propen-1-yl]cyclopentyl]-, methyl ester, (2E,5Z)- [ACD/Index Name]
Methyl (2E,5Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-{(1E,3S)-3-hydroxy-3-[3-(trifluoromethyl)phenoxy]-1-propen-1-yl}cyclopentyl]-2,5-heptadienoate [ACD/IUPAC Name]
methyl (2E,5Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-{(1E,3S)-3-hydroxy-3-[3-(trifluoromethyl)phenoxy]prop-1-en-1-yl}cyclopentyl]hepta-2,5-dienoate
Methyl-(2E,5Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-{(1E,3S)-3-hydroxy-3-[3-(trifluormethyl)phenoxy]-1-propen-1-yl}cyclopentyl]-2,5-heptadienoat [German] [ACD/IUPAC Name]
7-{3,5-Dihydroxy-2-[3-hydroxy-3-(3-trifluoromethyl-phenoxy)-propenyl]-cyclopentyl}-hepta-2,5-dienoic acid methyl ester

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

Density: 1.3±0.1 g/cm3
Boiling Point: 565.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.4±3.0 kJ/mol
Flash Point: 295.8±30.1 °C
Index of Refraction: 1.572
Molar Refractivity: 113.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 3.05
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 36.96
ACD/KOC (pH 5.5): 461.10
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 36.96
ACD/KOC (pH 7.4): 461.09
Polar Surface Area: 96 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 44.3±3.0 dyne/cm
Molar Volume: 345.7±3.0 cm3

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