ChemSpider 2D Image | Methyl (5E)-7-{(1R,2R,3R,5S)-2-[(3S)-5-cyclohexyl-3-hydroxy-1-pentyn-1-yl]-3,5-dihydroxycyclopentyl}-5-heptenoate | C24H38O5

Methyl (5E)-7-{(1R,2R,3R,5S)-2-[(3S)-5-cyclohexyl-3-hydroxy-1-pentyn-1-yl]-3,5-dihydroxycyclopentyl}-5-heptenoate

  • Molecular FormulaC24H38O5
  • Average mass406.556 Da
  • Monoisotopic mass406.271912 Da
  • ChemSpider ID114815099

  • 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-[(3S)-5-Cyclohexyl-3-hydroxy-1-pentyn-1-yl]-3,5-dihydroxycyclopentyl}-5-hepténoate de méthyle [French] [ACD/IUPAC Name]
5-Heptenoic acid, 7-[(1R,2R,3R,5S)-2-[(3S)-5-cyclohexyl-3-hydroxy-1-pentyn-1-yl]-3,5-dihydroxycyclopentyl]-, methyl ester, (5E)- [ACD/Index Name]
Methyl (5E)-7-{(1R,2R,3R,5S)-2-[(3S)-5-cyclohexyl-3-hydroxy-1-pentyn-1-yl]-3,5-dihydroxycyclopentyl}-5-heptenoate [ACD/IUPAC Name]
Methyl-(5E)-7-{(1R,2R,3R,5S)-2-[(3S)-5-cyclohexyl-3-hydroxy-1-pentin-1-yl]-3,5-dihydroxycyclopentyl}-5-heptenoat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 573.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.8±6.0 kJ/mol
Flash Point: 189.0±23.6 °C
Index of Refraction: 1.542
Molar Refractivity: 113.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 3.55
ACD/LogD (pH 5.5): 3.48
ACD/BCF (pH 5.5): 258.30
ACD/KOC (pH 5.5): 1854.41
ACD/LogD (pH 7.4): 3.48
ACD/BCF (pH 7.4): 258.30
ACD/KOC (pH 7.4): 1854.41
Polar Surface Area: 87 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 50.9±5.0 dyne/cm
Molar Volume: 360.0±5.0 cm3

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