ChemSpider 2D Image | (5S,6Z,8E,10E,12R,14Z,17Z)-5,12-Dihydroxy-6,8,10,14,17-icosapentaenoate | C20H29O4

(5S,6Z,8E,10E,12R,14Z,17Z)-5,12-Dihydroxy-6,8,10,14,17-icosapentaenoate

  • Molecular FormulaC20H29O4
  • Average mass333.442 Da
  • Monoisotopic mass333.207123 Da
  • ChemSpider ID58170371

  • 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,6Z,8E,10E,12R,14Z,17Z)-5,12-Dihydroxy-6,8,10,14,17-icosapentaenoat [German] [ACD/IUPAC Name]
(5S,6Z,8E,10E,12R,14Z,17Z)-5,12-Dihydroxy-6,8,10,14,17-icosapentaenoate [ACD/IUPAC Name]
(5S,6Z,8E,10E,12R,14Z,17Z)-5,12-Dihydroxy-6,8,10,14,17-icosapentaénoate [French] [ACD/IUPAC Name]
6,8,10,14,17-Eicosapentaenoic acid, 5,12-dihydroxy-, ion(1-), (5S,6Z,8E,10E,12R,14Z,17Z)- [ACD/Index Name]
(5S,12R)-dihydroxy-(6Z,8E,10E,14Z)-eicosapentaenoate
(5S,6Z,8E,10E,12R,14Z,17Z)-5,12-dihydroxyicosa-6,8,10,14,17-pentaenoate
5,12-DiHEPE(1-)
5S,12R-dihydroxy-(6Z,8E,10E,14Z)-eicosapentaenoate
leukotriene B5 anion
Leukotriene B5(1-)
  • Miscellaneous

    • Chemical Class:

      An icosanoid anion that is the conjugate base of leukotriene B5, obtained by deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:133302

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

Density:
Boiling Point: 538.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 93.8±6.0 kJ/mol
Flash Point: 293.7±26.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 3.54
ACD/LogD (pH 5.5): 2.23
ACD/BCF (pH 5.5): 17.65
ACD/KOC (pH 5.5): 150.41
ACD/LogD (pH 7.4): 0.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.37
Polar Surface Area: 81 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement