ChemSpider 2D Image | (5Z)-7-{3-[(1E,3R,4S)-3-Hydroxy-4-phenyl-1-penten-1-yl]-7-oxabicyclo[2.2.1]hept-2-yl}-5-heptenoic acid | C24H32O4

(5Z)-7-{3-[(1E,3R,4S)-3-Hydroxy-4-phenyl-1-penten-1-yl]-7-oxabicyclo[2.2.1]hept-2-yl}-5-heptenoic acid

  • Molecular FormulaC24H32O4
  • Average mass384.509 Da
  • Monoisotopic mass384.230072 Da
  • ChemSpider ID23143676

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 6 defined stereocentres

More details:

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

(5Z)-7-{3-[(1E,3R,4S)-3-Hydroxy-4-phenyl-1-penten-1-yl]-7-oxabicyclo[2.2.1]hept-2-yl}-5-heptenoic acid [ACD/IUPAC Name]
(5Z)-7-{3-[(1E,3R,4S)-3-Hydroxy-4-phenyl-1-penten-1-yl]-7-oxabicyclo[2.2.1]hept-2-yl}-5-heptensäure [German] [ACD/IUPAC Name]
5-Heptenoic acid, 7-[3-[(1E,3R,4S)-3-hydroxy-4-phenyl-1-penten-1-yl]-7-oxabicyclo[2.2.1]hept-2-yl]-, (5Z)- [ACD/Index Name]
Acide (5Z)-7-{3-[(1E,3R,4S)-3-hydroxy-4-phényl-1-pentén-1-yl]-7-oxabicyclo[2.2.1]hept-2-yl}-5-hepténoïque [French] [ACD/IUPAC Name]
(5Z)-7-{3-[(1E,3R,4S)-3-hydroxy-4-phenylpent-1-en-1-yl]-7-oxabicyclo[2.2.1]heptan-2-yl}hept-5-enoic acid
7-[3-(3-Hydroxy-4-phenyl-pent-1-enyl)-7-oxa-bicyclo[2.2.1]hept-2-yl]-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: 565.4±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.4±3.0 kJ/mol
Flash Point: 190.8±20.8 °C
Index of Refraction: 1.591
Molar Refractivity: 112.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.79
ACD/LogD (pH 5.5): 3.20
ACD/BCF (pH 5.5): 101.68
ACD/KOC (pH 5.5): 558.82
ACD/LogD (pH 7.4): 1.40
ACD/BCF (pH 7.4): 1.63
ACD/KOC (pH 7.4): 8.93
Polar Surface Area: 67 Å2
Polarizability: 44.6±0.5 10-24cm3
Surface Tension: 49.5±3.0 dyne/cm
Molar Volume: 332.8±3.0 cm3

Click to predict properties on the Chemicalize site


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