ChemSpider 2D Image | Isopropyl (5E)-7-{(1R,2R,3R,5S)-2-[(1E,3R)-4-(3-chlorophenoxy)-3-hydroxy-1-buten-1-yl]-3,5-dihydroxycyclopentyl}-5-heptenoate | C25H35ClO6

Isopropyl (5E)-7-{(1R,2R,3R,5S)-2-[(1E,3R)-4-(3-chlorophenoxy)-3-hydroxy-1-buten-1-yl]-3,5-dihydroxycyclopentyl}-5-heptenoate

  • Molecular FormulaC25H35ClO6
  • Average mass466.995 Da
  • Monoisotopic mass466.212219 Da
  • ChemSpider ID95601580

  • 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

(5E)-7-{(1R,2R,3R,5S)-2-[(1E,3R)-4-(3-Chlorophénoxy)-3-hydroxy-1-butén-1-yl]-3,5-dihydroxycyclopentyl}-5-hepténoate d'isopropyle [French] [ACD/IUPAC Name]
5-Heptenoic acid, 7-[(1R,2R,3R,5S)-2-[(1E,3R)-4-(3-chlorophenoxy)-3-hydroxy-1-buten-1-yl]-3,5-dihydroxycyclopentyl]-, 1-methylethyl ester, (5E)- [ACD/Index Name]
Isopropyl (5E)-7-{(1R,2R,3R,5S)-2-[(1E,3R)-4-(3-chlorophenoxy)-3-hydroxy-1-buten-1-yl]-3,5-dihydroxycyclopentyl}-5-heptenoate [ACD/IUPAC Name]
Isopropyl-(5E)-7-{(1R,2R,3R,5S)-2-[(1E,3R)-4-(3-chlorphenoxy)-3-hydroxy-1-buten-1-yl]-3,5-dihydroxycyclopentyl}-5-heptenoat [German] [ACD/IUPAC Name]
(+)-Cloprostenol isopropyl ester
157283-66-4 [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: 600.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.9±3.0 kJ/mol
Flash Point: 316.7±31.5 °C
Index of Refraction: 1.585
Molar Refractivity: 127.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 3.75
ACD/LogD (pH 5.5): 3.85
ACD/BCF (pH 5.5): 495.96
ACD/KOC (pH 5.5): 2958.06
ACD/LogD (pH 7.4): 3.85
ACD/BCF (pH 7.4): 495.96
ACD/KOC (pH 7.4): 2958.05
Polar Surface Area: 96 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 47.7±3.0 dyne/cm
Molar Volume: 380.4±3.0 cm3

Click to predict properties on the Chemicalize site


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