ChemSpider 2D Image | (5Z,8Z,11S,12E,14Z)-11-Hydroperoxy-5,8,12,14-icosatetraenoate | C20H31O4


  • Molecular FormulaC20H31O4
  • Average mass335.458 Da
  • Monoisotopic mass335.222778 Da
  • ChemSpider ID34448559
  • Charge - Charge

    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,8Z,11S,12E,14Z)-11-Hydroperoxy-5,8,12,14-icosatetraenoat [German] [ACD/IUPAC Name]
(5Z,8Z,11S,12E,14Z)-11-Hydroperoxy-5,8,12,14-icosatetraenoate [ACD/IUPAC Name]
(5Z,8Z,11S,12E,14Z)-11-Hydroperoxy-5,8,12,14-icosatétraénoate [French] [ACD/IUPAC Name]
5,8,12,14-Eicosatetraenoic acid, 11-hydroperoxy-, ion(1-), (5Z,8Z,11S,12E,14Z)- [ACD/Index Name]
  • Miscellaneous
    • Chemical Class:

      A hydroperoxy fatty acid anion that is the conjugate base of 11(R)-HPETE, obtained by deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:82628

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

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:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 6.26
ACD/LogD (pH 5.5): 4.99
ACD/BCF (pH 5.5): 2338.17
ACD/KOC (pH 5.5): 5250.33
ACD/LogD (pH 7.4): 3.20
ACD/BCF (pH 7.4): 37.31
ACD/KOC (pH 7.4): 83.77
Polar Surface Area: 70 Å2
Surface Tension:
Molar Volume:

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