ChemSpider 2D Image | (5E,8E,12S,14E)-12-Hydroperoxy-5,8,10,14-icosatetraenoic acid | C20H32O4

(5E,8E,12S,14E)-12-Hydroperoxy-5,8,10,14-icosatetraenoic acid

  • Molecular FormulaC20H32O4
  • Average mass336.466 Da
  • Monoisotopic mass336.230072 Da
  • ChemSpider ID68905819

  • 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

(5E,8E,12S,14E)-12-Hydroperoxy-5,8,10,14-icosatetraenoic acid [ACD/IUPAC Name]
(5E,8E,12S,14E)-12-Hydroperoxy-5,8,10,14-icosatetraensäure [German] [ACD/IUPAC Name]
5,8,10,14-Eicosatetraenoic acid, 12-hydroperoxy-, (5E,8E,12S,14E)- [ACD/Index Name]
Acide (5E,8E,12S,14E)-12-hydroperoxy-5,8,10,14-icosatétraénoïque [French] [ACD/IUPAC Name]
12-Hpete
71774-10-2 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 518.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.0±6.0 kJ/mol
Flash Point: 175.6±23.6 °C
Index of Refraction: 1.513
Molar Refractivity: 99.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 6.36
ACD/LogD (pH 5.5): 5.06
ACD/BCF (pH 5.5): 2614.79
ACD/KOC (pH 5.5): 5678.16
ACD/LogD (pH 7.4): 3.26
ACD/BCF (pH 7.4): 41.70
ACD/KOC (pH 7.4): 90.56
Polar Surface Area: 67 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 39.5±3.0 dyne/cm
Molar Volume: 332.0±3.0 cm3

Click to predict properties on the Chemicalize site


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