ChemSpider 2D Image | (5Z)-7-{(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(1E)-3-hydroxy-5-phenyl-1-penten-1-yl]cyclopentyl}-5-heptenoic acid | C23H32O5

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

  • Molecular FormulaC23H32O5
  • Average mass388.497 Da
  • Monoisotopic mass388.224976 Da
  • ChemSpider ID23189709

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(5Z)-7-{(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(1E)-3-hydroxy-5-phenyl-1-penten-1-yl]cyclopentyl}-5-heptenoic acid [ACD/IUPAC Name]
(5Z)-7-{(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(1E)-3-hydroxy-5-phenyl-1-penten-1-yl]cyclopentyl}-5-heptensäure [German] [ACD/IUPAC Name]
(5Z)-7-{(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E)-3-hydroxy-5-phenylpent-1-en-1-yl]cyclopentyl}hept-5-enoic acid
5-Heptenoic acid, 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E)-3-hydroxy-5-phenyl-1-penten-1-yl]cyclopentyl]-, (5Z)- [ACD/Index Name]
Acide (5Z)-7-{(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E)-3-hydroxy-5-phényl-1-pentén-1-yl]cyclopentyl}-5-hepténoïque [French] [ACD/IUPAC Name]
(Z)-7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-((E)-3-hydroxy-5-phenyl-pent-1-enyl)-cyclopentyl]-hept-5-enoic acid

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

Density: 1.2±0.1 g/cm3
Boiling Point: 597.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.6±3.0 kJ/mol
Flash Point: 329.1±26.6 °C
Index of Refraction: 1.616
Molar Refractivity: 111.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 2.12
ACD/LogD (pH 5.5): 1.55
ACD/BCF (pH 5.5): 5.69
ACD/KOC (pH 5.5): 71.02
ACD/LogD (pH 7.4): -0.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.13
Polar Surface Area: 98 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 54.2±3.0 dyne/cm
Molar Volume: 318.5±3.0 cm3

Click to predict properties on the Chemicalize site


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