ChemSpider 2D Image | (5S,6Z,8E,10E,14Z)-5-Hydroxy-12-oxo-6,8,10,14-icosatetraenoate | C20H29O4

(5S,6Z,8E,10E,14Z)-5-Hydroxy-12-oxo-6,8,10,14-icosatetraenoate

  • Molecular FormulaC20H29O4
  • Average mass333.442 Da
  • Monoisotopic mass333.207123 Da
  • ChemSpider ID58170374

  • 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,10E,14Z)-5-Hydroxy-12-oxo-6,8,10,14-icosatetraenoat [German] [ACD/IUPAC Name]
(5S,6Z,8E,10E,14Z)-5-Hydroxy-12-oxo-6,8,10,14-icosatetraenoate [ACD/IUPAC Name]
(5S,6Z,8E,10E,14Z)-5-Hydroxy-12-oxo-6,8,10,14-icosatétraénoate [French] [ACD/IUPAC Name]
6,8,10,14-Eicosatetraenoic acid, 5-hydroxy-12-oxo-, ion(1-), (5S,6Z,8E,10E,14Z)- [ACD/Index Name]
(5S,6Z,8E,10E,14Z)-5-hydroxy-12-oxoicosa-6,8,10,14-tetraenoate
12-dehydroleukotriene B4(1-)
12-dehydro-leukotriene B4(1-)
12-oxo-leukotriene B4
5(S)-hydroxy-12-oxo-(6Z,8E,10E,14Z)-eicosatetraenoate
5(S)-hydroxy-12-oxo-(6Z,8E,10E,14Z)-eicosatetraenoate(1-)
  • Miscellaneous

    • Chemical Class:

      An icosanoid anion that is the conjugate base of 12-dehydro-leukotriene B4, obtained by deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:133309

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

Density:
Boiling Point: 524.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.8±6.0 kJ/mol
Flash Point: 284.9±26.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 0
ACD/LogP: 3.79
ACD/LogD (pH 5.5): 2.93
ACD/BCF (pH 5.5): 59.87
ACD/KOC (pH 5.5): 360.11
ACD/LogD (pH 7.4): 1.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.68
Polar Surface Area: 77 Å2
Polarizability:
Surface Tension:
Molar Volume:

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