ChemSpider 2D Image | Isopropyl (5Z)-7-[(1R,2S,3R)-3-hydroxy-2-{(3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl}-5-oxocyclopentyl]-5-heptenoate | C26H33F3O6

Isopropyl (5Z)-7-[(1R,2S,3R)-3-hydroxy-2-{(3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl}-5-oxocyclopentyl]-5-heptenoate

  • Molecular FormulaC26H33F3O6
  • Average mass498.532 Da
  • Monoisotopic mass498.222931 Da
  • ChemSpider ID128925324

  • 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,2S,3R)-3-Hydroxy-2-{(3R)-3-hydroxy-4-[3-(trifluorométhyl)phénoxy]-1-butén-1-yl}-5-oxocyclopentyl]-5-hepténoate d'isopropyle [French] [ACD/IUPAC Name]
5-Heptenoic acid, 7-[(1R,2S,3R)-3-hydroxy-2-[(3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]-5-oxocyclopentyl]-, 1-methylethyl ester, (5Z)- [ACD/Index Name]
Isopropyl (5Z)-7-[(1R,2S,3R)-3-hydroxy-2-{(3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl}-5-oxocyclopentyl]-5-heptenoate [ACD/IUPAC Name]
Isopropyl-(5Z)-7-[(1R,2S,3R)-3-hydroxy-2-{(3R)-3-hydroxy-4-[3-(trifluormethyl)phenoxy]-1-buten-1-yl}-5-oxocyclopentyl]-5-heptenoat [German] [ACD/IUPAC Name]
(+)-9-OXO-11α,15R-DIHYDROXY-16-(3-(TRIFLUOROMETHYL)PHENOXY)-17,18,19,20-TETRANOR-PROSTA-5Z,13E-DIEN-1-OIC-ACID, ISOPROPYL ESTER
1219032-18-4 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 583.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.7±3.0 kJ/mol
Flash Point: 306.7±30.1 °C
Index of Refraction: 1.541
Molar Refractivity: 126.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 0
ACD/LogP: 3.65
ACD/LogD (pH 5.5): 3.69
ACD/BCF (pH 5.5): 374.24
ACD/KOC (pH 5.5): 2418.06
ACD/LogD (pH 7.4): 3.69
ACD/BCF (pH 7.4): 374.24
ACD/KOC (pH 7.4): 2418.05
Polar Surface Area: 93 Å2
Polarizability: 50.0±0.5 10-24cm3
Surface Tension: 46.3±3.0 dyne/cm
Molar Volume: 401.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement