ChemSpider 2D Image | (5S,6Z,8E,14Z)-5-Hydroxy-12-oxo-6,8,14-icosatrienoate | C20H31O4

(5S,6Z,8E,14Z)-5-Hydroxy-12-oxo-6,8,14-icosatrienoate

  • Molecular FormulaC20H31O4
  • Average mass335.458 Da
  • Monoisotopic mass335.222778 Da
  • ChemSpider ID58170375

  • 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

(5S,6Z,8E,14Z)-5-Hydroxy-12-oxo-6,8,14-icosatrienoat [German] [ACD/IUPAC Name]
(5S,6Z,8E,14Z)-5-Hydroxy-12-oxo-6,8,14-icosatrienoate [ACD/IUPAC Name]
(5S,6Z,8E,14Z)-5-Hydroxy-12-oxo-6,8,14-icosatriénoate [French] [ACD/IUPAC Name]
6,8,14-Eicosatrienoic acid, 5-hydroxy-12-oxo-, ion(1-), (5S,6Z,8E,14Z)- [ACD/Index Name]
(5S,6Z,8E,14Z)-5-hydroxy-12-oxoicosa-6,8,14-trienoate
10,11-dihydro-12-oxoleukotriene B4(1-)
10,11-dihydro-12-oxo-leukotriene B4(1-)
12-Oxo-(5S)-hydroxy-(6Z,8E,14Z)-eicosatrienoate
12-oxo-(5S)-hydroxy-(6Z,8E,14Z)-icosatrienoate(1-)
  • Miscellaneous

    • Chemical Class:

      An icosanoid anion that is the conjugate base of 10,11-dihydro-12-oxoleukotriene B4, obtained by deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:133319

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

Density:
Boiling Point: 523.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.7±6.0 kJ/mol
Flash Point: 284.5±26.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 0
ACD/LogP: 3.94
ACD/LogD (pH 5.5): 2.96
ACD/BCF (pH 5.5): 63.27
ACD/KOC (pH 5.5): 375.77
ACD/LogD (pH 7.4): 1.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.92
Polar Surface Area: 77 Å2
Polarizability:
Surface Tension:
Molar Volume:

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