ChemSpider 2D Image | (5Z,7E,9R,11Z,14Z)-9-Hydroperoxy-5,7,11,14-icosatetraenoate | C20H31O4

(5Z,7E,9R,11Z,14Z)-9-Hydroperoxy-5,7,11,14-icosatetraenoate

  • Molecular FormulaC20H31O4
  • Average mass335.458 Da
  • Monoisotopic mass335.222778 Da
  • ChemSpider ID31150433
  • 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,7E,9R,11Z,14Z)-9-Hydroperoxy-5,7,11,14-icosatetraenoat [German] [ACD/IUPAC Name]
(5Z,7E,9R,11Z,14Z)-9-Hydroperoxy-5,7,11,14-icosatetraenoate [ACD/IUPAC Name]
(5Z,7E,9R,11Z,14Z)-9-Hydroperoxy-5,7,11,14-icosatétraénoate [French] [ACD/IUPAC Name]
5,7,11,14-Eicosatetraenoic acid, 9-hydroperoxy-, ion(1-), (5Z,7E,9R,11Z,14Z)- [ACD/Index Name]
(5Z,7E,9R,11Z,14Z)-9-hydroperoxyicosa-5,7,11,14-tetraenoate
(9R)-hydroperoxy-(5Z,7E,11Z,14Z)-icosatetraenoate
9(R)-HPETE(1-)
9R-hydroperoxy(5Z,7E,11Z,14Z)-eicosatetraenoate
  • Miscellaneous
    • Chemical Class:

      A HPETE anion obtained by deprotonation of the carboxy group of 9(R)-HPETE; major species at pH 7.3. ChEBI CHEBI:77913

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

Density:
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): 4.97
ACD/BCF (pH 5.5): 2221.80
ACD/KOC (pH 5.5): 4989.01
ACD/LogD (pH 7.4): 3.17
ACD/BCF (pH 7.4): 35.30
ACD/KOC (pH 7.4): 79.26
Polar Surface Area: 70 Å2
Polarizability:
Surface Tension:
Molar Volume:

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