ChemSpider 2D Image | (5S,6Z,8E,10E,12R,14Z,16E,18R)-5,12,18-Trihydroxy-6,8,10,14,16-icosapentaenoate | C20H29O5


  • Molecular FormulaC20H29O5
  • Average mass349.442 Da
  • Monoisotopic mass349.202057 Da
  • ChemSpider ID58164140
  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(5S,6Z,8E,10E,12R,14Z,16E,18R)-5,12,18-Trihydroxy-6,8,10,14,16-icosapentaenoat [German] [ACD/IUPAC Name]
(5S,6Z,8E,10E,12R,14Z,16E,18R)-5,12,18-Trihydroxy-6,8,10,14,16-icosapentaenoate [ACD/IUPAC Name]
(5S,6Z,8E,10E,12R,14Z,16E,18R)-5,12,18-Trihydroxy-6,8,10,14,16-icosapentaénoate [French] [ACD/IUPAC Name]
6,8,10,14,16-Eicosapentaenoic acid, 5,12,18-trihydroxy-, ion(1-), (5S,6Z,8E,10E,12R,14Z,16E,18R)- [ACD/Index Name]
resolvin E1
resolvin E1(1-)
  • Miscellaneous
    • Chemical Class:

      An icosanoid anion resulting from the removal of a proton from the carboxy group of resolvin E1; major species at pH 7.3. ChEBI CHEBI:91000

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

Boiling Point: 591.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.2±6.0 kJ/mol
Flash Point: 325.5±26.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 1.68
ACD/LogD (pH 5.5): 0.83
ACD/BCF (pH 5.5): 1.52
ACD/KOC (pH 5.5): 25.96
ACD/LogD (pH 7.4): -0.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 101 Å2
Surface Tension:
Molar Volume:

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