ChemSpider 2D Image | (+)-5-trans Cloprostenol | C22H29ClO6

(+)-5-trans Cloprostenol

  • Molecular FormulaC22H29ClO6
  • Average mass424.915 Da
  • Monoisotopic mass424.165253 Da
  • ChemSpider ID21467854

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 5 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(+)-5-trans Cloprostenol
(5E)-7-{(1R,2R)-2-[(1E,3R)-4-(3-Chlorophenoxy)-3-hydroxy-1-buten-1-yl]-3,5-dihydroxycyclopentyl}-5-heptenoic acid [ACD/IUPAC Name]
(5E)-7-{(1R,2R)-2-[(1E,3R)-4-(3-Chlorphenoxy)-3-hydroxy-1-buten-1-yl]-3,5-dihydroxycyclopentyl}-5-heptensäure [German] [ACD/IUPAC Name]
57968-81-7 [RN]
5-Heptenoic acid, 7-[(1R,2R)-2-[(1E,3R)-4-(3-chlorophenoxy)-3-hydroxy-1-buten-1-yl]-3,5-dihydroxycyclopentyl]-, (5E)- [ACD/Index Name]
Acide (5E)-7-{(1R,2R)-2-[(1E,3R)-4-(3-chlorophénoxy)-3-hydroxy-1-butén-1-yl]-3,5-dihydroxycyclopentyl}-5-hepténoïque [French] [ACD/IUPAC Name]
(+)-9?,11?,15R-trihydroxy-16-(3-chlorophenoxy)-17,18,19,20-tetranor-prosta-5E,13E-dien-1-oic acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 628.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.7±3.0 kJ/mol
Flash Point: 333.6±31.5 °C
Index of Refraction: 1.623
Molar Refractivity: 113.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 2.31
ACD/LogD (pH 5.5): 1.69
ACD/BCF (pH 5.5): 7.22
ACD/KOC (pH 5.5): 84.16
ACD/LogD (pH 7.4): -0.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.35
Polar Surface Area: 107 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 56.1±3.0 dyne/cm
Molar Volume: 321.7±3.0 cm3

Click to predict properties on the Chemicalize site


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