ChemSpider 2D Image | Methyl (3E,5E)-7-{(1R,2R,3R,5S)-2-[(1E,3R)-4-(3-chlorophenoxy)-3-hydroxy-1-buten-1-yl]-3,5-dihydroxycyclopentyl}-3,5-heptadienoate | C23H29ClO6

Methyl (3E,5E)-7-{(1R,2R,3R,5S)-2-[(1E,3R)-4-(3-chlorophenoxy)-3-hydroxy-1-buten-1-yl]-3,5-dihydroxycyclopentyl}-3,5-heptadienoate

  • Molecular FormulaC23H29ClO6
  • Average mass436.926 Da
  • Monoisotopic mass436.165253 Da
  • ChemSpider ID23222551

  • 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

(3E,5E)-7-{(1R,2R,3R,5S)-2-[(1E,3R)-4-(3-Chlorophénoxy)-3-hydroxy-1-butén-1-yl]-3,5-dihydroxycyclopentyl}-3,5-heptadiénoate de méthyle [French] [ACD/IUPAC Name]
3,5-Heptadienoic acid, 7-[(1R,2R,3R,5S)-2-[(1E,3R)-4-(3-chlorophenoxy)-3-hydroxy-1-buten-1-yl]-3,5-dihydroxycyclopentyl]-, methyl ester, (3E,5E)- [ACD/Index Name]
Methyl (3E,5E)-7-{(1R,2R,3R,5S)-2-[(1E,3R)-4-(3-chlorophenoxy)-3-hydroxy-1-buten-1-yl]-3,5-dihydroxycyclopentyl}-3,5-heptadienoate [ACD/IUPAC Name]
methyl (3E,5E)-7-{(1R,2R,3R,5S)-2-[(1E,3R)-4-(3-chlorophenoxy)-3-hydroxybut-1-en-1-yl]-3,5-dihydroxycyclopentyl}hepta-3,5-dienoate
Methyl-(3E,5E)-7-{(1R,2R,3R,5S)-2-[(1E,3R)-4-(3-chlorphenoxy)-3-hydroxy-1-buten-1-yl]-3,5-dihydroxycyclopentyl}-3,5-heptadienoat [German] [ACD/IUPAC Name]
7-{2-[4-(3-Chloro-phenoxy)-3-hydroxy-but-1-enyl]-3,5-dihydroxy-cyclopentyl}-hepta-3,5-dienoic acid methyl ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL348493/
methyl (3E,5E)-7-[(1R,2R,3R,5S)-2-[(1E,3R)-4-(3-chlorophenoxy)-3-hydroxybut-1-en-1-yl]-3,5-dihydroxycyclopentyl]hepta-3,5-dienoate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 594.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.1±3.0 kJ/mol
Flash Point: 313.0±30.1 °C
Index of Refraction: 1.611
Molar Refractivity: 118.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 2.50
ACD/LogD (pH 5.5): 2.84
ACD/BCF (pH 5.5): 84.04
ACD/KOC (pH 5.5): 830.19
ACD/LogD (pH 7.4): 2.84
ACD/BCF (pH 7.4): 84.04
ACD/KOC (pH 7.4): 830.19
Polar Surface Area: 96 Å2
Polarizability: 46.9±0.5 10-24cm3
Surface Tension: 51.0±3.0 dyne/cm
Molar Volume: 340.6±3.0 cm3

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