ChemSpider 2D Image | (8Z,10E,12S,14Z)-12-Hydroperoxy-8,10,14-icosatrienoate | C20H33O4

(8Z,10E,12S,14Z)-12-Hydroperoxy-8,10,14-icosatrienoate

  • Molecular FormulaC20H33O4
  • Average mass337.474 Da
  • Monoisotopic mass337.238434 Da
  • ChemSpider ID31150468

  • 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

(8Z,10E,12S,14Z)-12-Hydroperoxy-8,10,14-icosatrienoat [German] [ACD/IUPAC Name]
(8Z,10E,12S,14Z)-12-Hydroperoxy-8,10,14-icosatrienoate [ACD/IUPAC Name]
(8Z,10E,12S,14Z)-12-Hydroperoxy-8,10,14-icosatriénoate [French] [ACD/IUPAC Name]
8,10,14-Eicosatrienoic acid, 12-hydroperoxy-, ion(1-), (8Z,10E,12S,14Z)- [ACD/Index Name]
(12S)-hydroperoxy-(8Z,10E,14Z)-eicosatrienoate
(8Z,10E,12S,14Z)-12-hydroperoxyicosa-8,10,14-trienoate
(8Z,10E,12S,14Z)-hydroperoxyeicosatrienoate
(8Z,10E,12S,14Z)-hydroperoxyicosatrienoate
(8Z,10E,14Z)-12-hydroperoxyeicosatrienoate
12(S)-HPE(8,10,14)TrE(1-)
  • Miscellaneous

    • Chemical Class:

      A polyunsaturated fatty acid anion that is the conjugate base of 12(S)-HPE(8,10,14)TrE, obtained by deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:78047

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

Density:
Boiling Point: 511.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.1±6.0 kJ/mol
Flash Point: 172.0±23.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 1
ACD/LogP: 6.75
ACD/LogD (pH 5.5): 5.44
ACD/BCF (pH 5.5): 5125.14
ACD/KOC (pH 5.5): 9309.88
ACD/LogD (pH 7.4): 3.64
ACD/BCF (pH 7.4): 82.08
ACD/KOC (pH 7.4): 149.10
Polar Surface Area: 70 Å2
Polarizability:
Surface Tension:
Molar Volume:

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