ChemSpider 2D Image | (5S,6E,8E,10E,12R,14Z)-5,12,20-Trihydroxy-6,8,10,14-icosatetraenoate | C20H31O5

(5S,6E,8E,10E,12R,14Z)-5,12,20-Trihydroxy-6,8,10,14-icosatetraenoate

  • Molecular FormulaC20H31O5
  • Average mass351.458 Da
  • Monoisotopic mass351.217712 Da
  • ChemSpider ID58164072
  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(5S,6E,8E,10E,12R,14Z)-5,12,20-Trihydroxy-6,8,10,14-icosatetraenoat [German] [ACD/IUPAC Name]
(5S,6E,8E,10E,12R,14Z)-5,12,20-Trihydroxy-6,8,10,14-icosatetraenoate [ACD/IUPAC Name]
(5S,6E,8E,10E,12R,14Z)-5,12,20-Trihydroxy-6,8,10,14-icosatétraénoate [French] [ACD/IUPAC Name]
6,8,10,14-Eicosatetraenoic acid, 5,12,20-trihydroxy-, ion(1-), (5S,6E,8E,10E,12R,14Z)- [ACD/Index Name]
(5S,12R,20)-trihydroxy-(6E,8E,10E,14Z)-eicosatetraenoate
(5S,12R,20)-trihydroxy-(6E,8E,10E,14Z)-icosatetraenoate
(5S,6E,8E,10E,12R,14Z)-5,12,20-trihydroxyicosa-6,8,10,14-tetraenoate
(5S,6E,8E,10E,12R,14Z)-5,12,20-trihydroxyicosatetraenoate
20-hydroxy-6-trans-leukotriene B4
20-hydroxy-6-trans-leukotriene B4(1-)
More...
  • Miscellaneous
    • Chemical Class:

      A leukotriene anion that is the conjugate base of 20-hydroxy-6-trans-leukotriene B4 arising from deprotonation of the carboxylic acid function; major species at p; H 7.3. ChEBI CHEBI:90732

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
Boiling Point: 581.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 99.9±6.0 kJ/mol
Flash Point: 319.7±26.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 0
ACD/LogP: 2.05
ACD/LogD (pH 5.5): 1.00
ACD/BCF (pH 5.5): 2.08
ACD/KOC (pH 5.5): 32.50
ACD/LogD (pH 7.4): -0.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 101 Å2
Polarizability:
Surface Tension:
Molar Volume:

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