ChemSpider 2D Image | (5Z)-7-{(1R,2R,3R,5S)-2-[(1E,3S)-3-Cyclohexyl-3-hydroxy-1-propen-1-yl]-3,5-dihydroxycyclopentyl}-5-heptenoic acid | C21H34O5

(5Z)-7-{(1R,2R,3R,5S)-2-[(1E,3S)-3-Cyclohexyl-3-hydroxy-1-propen-1-yl]-3,5-dihydroxycyclopentyl}-5-heptenoic acid

  • Molecular FormulaC21H34O5
  • Average mass366.492 Da
  • Monoisotopic mass366.240631 Da
  • ChemSpider ID32815134

  • 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

(5Z)-7-{(1R,2R,3R,5S)-2-[(1E,3S)-3-Cyclohexyl-3-hydroxy-1-propen-1-yl]-3,5-dihydroxycyclopentyl}-5-heptenoic acid [ACD/IUPAC Name]
(5Z)-7-{(1R,2R,3R,5S)-2-[(1E,3S)-3-Cyclohexyl-3-hydroxy-1-propen-1-yl]-3,5-dihydroxycyclopentyl}-5-heptensäure [German] [ACD/IUPAC Name]
58611-97-5 [RN]
5-Heptenoic acid, 7-[(1R,2R,3R,5S)-2-[(1E,3S)-3-cyclohexyl-3-hydroxy-1-propen-1-yl]-3,5-dihydroxycyclopentyl]-, (5Z)- [ACD/Index Name]
Acide (5Z)-7-{(1R,2R,3R,5S)-2-[(1E,3S)-3-cyclohexyl-3-hydroxy-1-propén-1-yl]-3,5-dihydroxycyclopentyl}-5-hepténoïque [French] [ACD/IUPAC Name]
(Z)-7-[(1R,2R,3R,5S)-2-[(E,3S)-3-cyclohexyl-3-hydroxyprop-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid
[58611-97-5] [RN]
15-cyclohexyl pentanor Prostaglandin F2?
15-cyclohexyl pentanor Prostaglandin F2??
15-Cyclohexyl pentanor prostaglandin F2α
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 557.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 96.5±6.0 kJ/mol
Flash Point: 305.3±26.6 °C
Index of Refraction: 1.592
Molar Refractivity: 103.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.08
ACD/LogD (pH 5.5): 1.46
ACD/BCF (pH 5.5): 4.80
ACD/KOC (pH 5.5): 62.86
ACD/LogD (pH 7.4): -0.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 98 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 60.0±3.0 dyne/cm
Molar Volume: 304.9±3.0 cm3

Click to predict properties on the Chemicalize site


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