ChemSpider 2D Image | Methyl (5Z)-7-{(1R,2R,3R,5S)-2-[(1E,3R)-5-(3-chlorophenyl)-3-hydroxy-1-penten-4-yn-1-yl]-3,5-dihydroxycyclopentyl}-5-heptenoate | C24H29ClO5

Methyl (5Z)-7-{(1R,2R,3R,5S)-2-[(1E,3R)-5-(3-chlorophenyl)-3-hydroxy-1-penten-4-yn-1-yl]-3,5-dihydroxycyclopentyl}-5-heptenoate

  • Molecular FormulaC24H29ClO5
  • Average mass432.937 Da
  • Monoisotopic mass432.170349 Da
  • ChemSpider ID23221886

  • 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,3R)-5-(3-Chlorophényl)-3-hydroxy-1-pentén-4-yn-1-yl]-3,5-dihydroxycyclopentyl}-5-hepténoate de méthyle [French] [ACD/IUPAC Name]
5-Heptenoic acid, 7-[(1R,2R,3R,5S)-2-[(1E,3R)-5-(3-chlorophenyl)-3-hydroxy-1-penten-4-yn-1-yl]-3,5-dihydroxycyclopentyl]-, methyl ester, (5Z)- [ACD/Index Name]
Methyl (5Z)-7-{(1R,2R,3R,5S)-2-[(1E,3R)-5-(3-chlorophenyl)-3-hydroxy-1-penten-4-yn-1-yl]-3,5-dihydroxycyclopentyl}-5-heptenoate [ACD/IUPAC Name]
methyl (5Z)-7-{(1R,2R,3R,5S)-2-[(1E,3R)-5-(3-chlorophenyl)-3-hydroxypent-1-en-4-yn-1-yl]-3,5-dihydroxycyclopentyl}hept-5-enoate
Methyl-(5Z)-7-{(1R,2R,3R,5S)-2-[(1E,3R)-5-(3-chlorphenyl)-3-hydroxy-1-penten-4-in-1-yl]-3,5-dihydroxycyclopentyl}-5-heptenoat [German] [ACD/IUPAC Name]
7-{2-[5-(3-Chloro-phenyl)-3-hydroxy-pent-1-en-4-ynyl]-3,5-dihydroxy-cyclopentyl}-hept-5-enoic acid methyl ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL356162/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 582.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.6±3.0 kJ/mol
Flash Point: 306.2±30.1 °C
Index of Refraction: 1.596
Molar Refractivity: 117.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 3.95
ACD/LogD (pH 5.5): 3.55
ACD/BCF (pH 5.5): 296.06
ACD/KOC (pH 5.5): 2044.67
ACD/LogD (pH 7.4): 3.55
ACD/BCF (pH 7.4): 296.06
ACD/KOC (pH 7.4): 2044.63
Polar Surface Area: 87 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 58.4±5.0 dyne/cm
Molar Volume: 344.2±5.0 cm3

Click to predict properties on the Chemicalize site


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