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

(6Z,8E,10E,14Z,16E,18R)-5,12,18-Trihydroxy-6,8,10,14,16-icosapentaenoate

  • Molecular FormulaC20H29O5
  • Average mass349.442 Da
  • Monoisotopic mass349.202057 Da
  • ChemSpider ID58827279
  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 3 defined stereocentres


More details:






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

(6Z,8E,10E,14Z,16E,18R)-5,12,18-Trihydroxy-6,8,10,14,16-icosapentaenoat [German] [ACD/IUPAC Name]
(6Z,8E,10E,14Z,16E,18R)-5,12,18-Trihydroxy-6,8,10,14,16-icosapentaenoate [ACD/IUPAC Name]
(6Z,8E,10E,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-), (6Z,8E,10E,14Z,16E,18R)- [ACD/Index Name]
(5,12,18R)-trihydroxy-(6Z,8E,10E,14Z,16E)-eicosapentaenoate
(6Z,8E,10E,14Z,16E,18R)-5,12,18-trihydroxyeicosapentaenoate
(6Z,8E,10E,14Z,16E,18R)-5,12,18-trihydroxyicosa-6,8,10,14,16-pentaenoate
(6Z,8E,10E,14Z,16E,18R)-5,12,18-trihydroxyicosapentaenoate
  • Miscellaneous
    • Chemical Class:

      An icosanoid anion that is the conjugate base of (6Z,8E,10E,14Z,16E,18R)-5,12,18-trihydroxyicosape; ntaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:133822

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

Density:
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
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site






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