ChemSpider 2D Image | (5Z,8Z,10E,14Z,17Z)-12-Hydroperoxy-5,8,10,14,17-icosapentaenoate | C20H29O4

(5Z,8Z,10E,14Z,17Z)-12-Hydroperoxy-5,8,10,14,17-icosapentaenoate

  • Molecular FormulaC20H29O4
  • Average mass333.442 Da
  • Monoisotopic mass333.207123 Da
  • ChemSpider ID31150471

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

(5Z,8Z,10E,14Z,17Z)-12-Hydroperoxy-5,8,10,14,17-icosapentaenoat [German] [ACD/IUPAC Name]
(5Z,8Z,10E,14Z,17Z)-12-Hydroperoxy-5,8,10,14,17-icosapentaenoate [ACD/IUPAC Name]
(5Z,8Z,10E,14Z,17Z)-12-Hydroperoxy-5,8,10,14,17-icosapentaénoate [French] [ACD/IUPAC Name]
5,8,10,14,17-Eicosapentaenoic acid, 12-hydroperoxy-, ion(1-), (5Z,8Z,10E,14Z,17Z)- [ACD/Index Name]
(5Z,7Z,8Z,10E,14Z,17Z)-12-hydroperoxyeicosapentaenoate
(5Z,7Z,8Z,10E,14Z,17Z)-12-hydroperoxyicosa-5,8,10,14,17-pentaenoate
(5Z,7Z,8Z,10E,14Z,17Z)-12-hydroperoxyicosapentaenoate
(5Z,8Z,10E,14Z,17Z)-12-hydroperoxyicosa-5,8,10,14,17-pentaenoate
(5Z,8Z,10E,14Z,17Z)-12-hydroperoxyicosapentaenoate
12-HPEPE(1-)
  • Miscellaneous

    • Chemical Class:

      A polyunsaturated fatty acid anion that is the conjugate base of 12-HPEPE, obtained by deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:78078

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

Density:
Boiling Point: 518.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.1±6.0 kJ/mol
Flash Point: 176.8±23.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 5.74
ACD/LogD (pH 5.5): 4.28
ACD/BCF (pH 5.5): 674.64
ACD/KOC (pH 5.5): 2153.31
ACD/LogD (pH 7.4): 2.49
ACD/BCF (pH 7.4): 10.76
ACD/KOC (pH 7.4): 34.34
Polar Surface Area: 70 Å2
Polarizability:
Surface Tension:
Molar Volume:

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