ChemSpider 2D Image | (5Z)-7-{(1R,3R,5S)-3,5-Dihydroxy-2-[(1E,3S)-3-hydroxy-5-phenyl-1-octen-1-yl]cyclopentyl}-5-heptenoic acid | C26H38O5

(5Z)-7-{(1R,3R,5S)-3,5-Dihydroxy-2-[(1E,3S)-3-hydroxy-5-phenyl-1-octen-1-yl]cyclopentyl}-5-heptenoic acid

  • Molecular FormulaC26H38O5
  • Average mass430.577 Da
  • Monoisotopic mass430.271912 Da
  • ChemSpider ID23197282

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 6 defined stereocentres

More details:

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

(5Z)-7-{(1R,3R,5S)-3,5-Dihydroxy-2-[(1E,3S)-3-hydroxy-5-phenyl-1-octen-1-yl]cyclopentyl}-5-heptenoic acid [ACD/IUPAC Name]
(5Z)-7-{(1R,3R,5S)-3,5-Dihydroxy-2-[(1E,3S)-3-hydroxy-5-phenyl-1-octen-1-yl]cyclopentyl}-5-heptensäure [German] [ACD/IUPAC Name]
(5Z)-7-{(1R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxy-5-phenyloct-1-en-1-yl]cyclopentyl}hept-5-enoic acid
5-Heptenoic acid, 7-[(1R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxy-5-phenyl-1-octen-1-yl]cyclopentyl]-, (5Z)- [ACD/Index Name]
Acide (5Z)-7-{(1R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxy-5-phényl-1-octén-1-yl]cyclopentyl}-5-hepténoïque [French] [ACD/IUPAC Name]
(5Z)-7-[(1R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxy-5-phenyloct-1-en-1-yl]cyclopentyl]hept-5-enoic acid
7-[3,5-Dihydroxy-2-(3-hydroxy-5-phenyl-oct-1-enyl)-cyclopentyl]-hept-5-enoic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL332247/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 614.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.9±3.0 kJ/mol
Flash Point: 339.6±28.0 °C
Index of Refraction: 1.595
Molar Refractivity: 125.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 3.53
ACD/LogD (pH 5.5): 2.67
ACD/BCF (pH 5.5): 40.43
ACD/KOC (pH 5.5): 288.88
ACD/LogD (pH 7.4): 0.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.62
Polar Surface Area: 98 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 50.3±3.0 dyne/cm
Molar Volume: 368.8±3.0 cm3

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