ChemSpider 2D Image | 12-oxo Leukotriene B4 | C20H30O4

12-oxo Leukotriene B4

  • Molecular FormulaC20H30O4
  • Average mass334.450 Da
  • Monoisotopic mass334.214417 Da
  • ChemSpider ID21467864

  • 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

(5S,6E,8Z,10Z,14Z)-5-Hydroxy-12-oxo-6,8,10,14-icosatetraenoic acid [ACD/IUPAC Name]
(5S,6E,8Z,10Z,14Z)-5-Hydroxy-12-oxo-6,8,10,14-icosatetraensäure [German] [ACD/IUPAC Name]
12-oxo Leukotriene B4
136696-10-1 [RN]
6,8,10,14-Eicosatetraenoic acid, 5-hydroxy-12-oxo-, (5S,6E,8Z,10Z,14Z)- [ACD/Index Name]
Acide (5S,6E,8Z,10Z,14Z)-5-hydroxy-12-oxo-6,8,10,14-icosatétraénoïque [French] [ACD/IUPAC Name]
12-oxoLeukotrieneB4
5S-hydroxy-12-oxo-6Z,8E,10E,14Z-eicosatetraenoic acid

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 524.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.8±6.0 kJ/mol
Flash Point: 284.9±26.6 °C
Index of Refraction: 1.519
Molar Refractivity: 98.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 0
ACD/LogP: 3.79
ACD/LogD (pH 5.5): 2.93
ACD/BCF (pH 5.5): 59.87
ACD/KOC (pH 5.5): 360.11
ACD/LogD (pH 7.4): 1.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.68
Polar Surface Area: 75 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 41.2±3.0 dyne/cm
Molar Volume: 322.8±3.0 cm3

Click to predict properties on the Chemicalize site


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