ChemSpider 2D Image | (5S,6Z,8E,10E,14Z)-5,20-Dihydroxy-12-oxo-6,8,10,14-icosatetraenoate | C20H29O5

(5S,6Z,8E,10E,14Z)-5,20-Dihydroxy-12-oxo-6,8,10,14-icosatetraenoate

  • Molecular FormulaC20H29O5
  • Average mass349.442 Da
  • Monoisotopic mass349.202057 Da
  • ChemSpider ID58170382

  • 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)-5,20-Dihydroxy-12-oxo-6,8,10,14-icosatetraenoat [German] [ACD/IUPAC Name]
(5S,6Z,8E,10E,14Z)-5,20-Dihydroxy-12-oxo-6,8,10,14-icosatetraenoate [ACD/IUPAC Name]
(5S,6Z,8E,10E,14Z)-5,20-Dihydroxy-12-oxo-6,8,10,14-icosatétraénoate [French] [ACD/IUPAC Name]
6,8,10,14-Eicosatetraenoic acid, 5,20-dihydroxy-12-oxo-, ion(1-), (5S,6Z,8E,10E,14Z)- [ACD/Index Name]
(5S,6Z,8E,10E,14Z)-5,20-dihydroxy-12-oxoicosa-6,8,10,14-tetraenoate
12-oxo-20-hydroxy--leukotriene B4
12-Oxo-20-hydroxy-leukotriene B4
12-oxo-20-hydroxyleukotriene B4(1-)
12-oxo-20-hydroxy--leukotriene B4(1-)
12-oxo-20-hydroxy-LTB4(1-)
  • Miscellaneous

    • Chemical Class:

      A leukotriene anion that is the conjugate base of 12-oxo-20-hydroxyleukotriene B4, obtained by deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:133346

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

Density:
Boiling Point: 568.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 98.0±6.0 kJ/mol
Flash Point: 311.8±26.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 0
ACD/LogP: 1.78
ACD/LogD (pH 5.5): 1.10
ACD/BCF (pH 5.5): 2.44
ACD/KOC (pH 5.5): 36.40
ACD/LogD (pH 7.4): -0.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 98 Å2
Polarizability:
Surface Tension:
Molar Volume:

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