ChemSpider 2D Image | (+)-15-epi Cloprostenol | C22H29ClO6

(+)-15-epi Cloprostenol

  • Molecular FormulaC22H29ClO6
  • Average mass424.915 Da
  • Monoisotopic mass424.165253 Da
  • ChemSpider ID21467547

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 5 defined stereocentres

More details:

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

(+)-15-epi Cloprostenol
(5Z)-7-{(2R)-2-[(1E,3S)-4-(3-Chlorophenoxy)-3-hydroxy-1-buten-1-yl]-3,5-dihydroxycyclopentyl}-5-heptenoic acid [ACD/IUPAC Name]
(5Z)-7-{(2R)-2-[(1E,3S)-4-(3-Chlorphenoxy)-3-hydroxy-1-buten-1-yl]-3,5-dihydroxycyclopentyl}-5-heptensäure [German] [ACD/IUPAC Name]
54276-22-1 [RN]
5-Heptenoic acid, 7-[(2R)-2-[(1E,3S)-4-(3-chlorophenoxy)-3-hydroxy-1-buten-1-yl]-3,5-dihydroxycyclopentyl]-, (5Z)- [ACD/Index Name]
Acide (5Z)-7-{(2R)-2-[(1E,3S)-4-(3-chlorophénoxy)-3-hydroxy-1-butén-1-yl]-3,5-dihydroxycyclopentyl}-5-hepténoïque [French] [ACD/IUPAC Name]
(+)-15(S)-cloprostenol
(+)-15-Epi-Cloprostenol
(+)-9α,11α,15s-trihydroxy-16-(3-chlorophenoxy)-17,18,19,20-tetranor-prosta-5z,13e-dien-1-oic acid
(Z)-7-((1R,2R,3R,5S)-2-((S,E)-4-(3-chlorophenoxy)-3-hydroxybut-1-en-1-yl)-3,5-dihydroxycyclopentyl)hept-5-enoic acid
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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: 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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