ChemSpider 2D Image | (8Z,11Z,13E,15S)-15-Hydroperoxy-8,11,13-icosatrienoate | C20H33O4

(8Z,11Z,13E,15S)-15-Hydroperoxy-8,11,13-icosatrienoate

  • Molecular FormulaC20H33O4
  • Average mass337.474 Da
  • Monoisotopic mass337.238434 Da
  • ChemSpider ID128919961

  • 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,11Z,13E,15S)-15-Hydroperoxy-8,11,13-icosatrienoat [German] [ACD/IUPAC Name]
(8Z,11Z,13E,15S)-15-Hydroperoxy-8,11,13-icosatrienoate [ACD/IUPAC Name]
(8Z,11Z,13E,15S)-15-Hydroperoxy-8,11,13-icosatriénoate [French] [ACD/IUPAC Name]
8,11,13-Eicosatrienoic acid, 15-hydroperoxy-, ion(1-), (8Z,11Z,13E,15S)- [ACD/Index Name]
(15S)-hydroperoxy-(8Z,11Z,13E)-eicosatrienoate
(15S)-hydroperoxy-(8Z,11Z,13E)-icosatrienoate
(8Z,11Z,13E,15S)-15-hydroperoxyicosa-8,11,13-trienoate
  • Miscellaneous

    • Chemical Class:

      A hydroperoxyicosatrienoate resulting from the deprotonation of the carboxy group of (8Z,11Z,13E,15S)-15-hydroperoxyicosa-8,11,13-trienoic acid. The major species at pH 7.3. ChEBI CHEBI:144787

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

Density:
Boiling Point: 517.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 90.9±6.0 kJ/mol
Flash Point: 174.4±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: 6.68
ACD/LogD (pH 5.5): 5.37
ACD/BCF (pH 5.5): 4576.48
ACD/KOC (pH 5.5): 8592.12
ACD/LogD (pH 7.4): 3.58
ACD/BCF (pH 7.4): 73.32
ACD/KOC (pH 7.4): 137.66
Polar Surface Area: 70 Å2
Polarizability:
Surface Tension:
Molar Volume:

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