ChemSpider 2D Image | (5Z,12E,14E)-11-Oxoprosta-5,9,12,14-tetraen-1-oic acid | C20H28O3

(5Z,12E,14E)-11-Oxoprosta-5,9,12,14-tetraen-1-oic acid

  • Molecular FormulaC20H28O3
  • Average mass316.435 Da
  • Monoisotopic mass316.203857 Da
  • ChemSpider ID68057741

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5Z,12E,14E)-11-Oxoprosta-5,9,12,14-tetraen-1-oic acid [ACD/IUPAC Name]
(5Z,12E,14E)-11-Oxoprosta-5,9,12,14-tetraen-1-säure [German] [ACD/IUPAC Name]
Acide (5Z,12E,14E)-11-oxoprosta-5,9,12,14-tétraén-1-oïque [French] [ACD/IUPAC Name]
Prosta-5,9,12,14-tetraen-1-oic acid, 11-oxo-, (5Z,12E,14E)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 495.8±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 83.6±6.0 kJ/mol
Flash Point: 267.8±22.2 °C
Index of Refraction: 1.558
Molar Refractivity: 95.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 5.10
ACD/LogD (pH 5.5): 4.59
ACD/BCF (pH 5.5): 1150.77
ACD/KOC (pH 5.5): 3156.83
ACD/LogD (pH 7.4): 2.79
ACD/BCF (pH 7.4): 18.36
ACD/KOC (pH 7.4): 50.36
Polar Surface Area: 54 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 46.2±3.0 dyne/cm
Molar Volume: 296.7±3.0 cm3

Click to predict properties on the Chemicalize site


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