ChemSpider 2D Image | (5Z,8Z,12E)-11,14,15-Trihydroxy-5,8,12-icosatrienoate | C20H33O5

(5Z,8Z,12E)-11,14,15-Trihydroxy-5,8,12-icosatrienoate

  • Molecular FormulaC20H33O5
  • Average mass353.474 Da
  • Monoisotopic mass353.233337 Da
  • ChemSpider ID76963484

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

(5Z,8Z,12E)-11,14,15-Trihydroxy-5,8,12-icosatrienoat [German] [ACD/IUPAC Name]
(5Z,8Z,12E)-11,14,15-Trihydroxy-5,8,12-icosatrienoate [ACD/IUPAC Name]
(5Z,8Z,12E)-11,14,15-Trihydroxy-5,8,12-icosatriénoate [French] [ACD/IUPAC Name]
5,8,12-Eicosatrienoic acid, 11,14,15-trihydroxy-, ion(1-), (5Z,8Z,12E)- [ACD/Index Name]
(5Z,8Z,12E)-11,14,15-trihydroxyeicosatrienoate
(5Z,8Z,12E)-11,14,15-Trihydroxyicosa-5,8,12-trienoate
(5Z,8Z,12E)-11,14,15-trihydroxyicosatrienoate
11,14,15-trihydroxyeicosa-(5Z,8Z,12E)-trienoate
11,14,15-θ(1-)
  • Miscellaneous

    • Chemical Class:

      A trihydroxyicosatrienoate that is the conjugate base of 11,14,15-trihydroxy-(5Z,8Z,12E)-icosatrienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:137327
      A trihydroxyicosatrienoate that is the conjugate base of 11,14,15-trihydroxy-(5Z,8Z,12E)-icosatrienoic acid, obtained by deprotonation of the carboxy; group; major species at pH 7.3. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:137327

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

Density:
Boiling Point: 564.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.5±6.0 kJ/mol
Flash Point: 309.5±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: 2.73
ACD/LogD (pH 5.5): 1.97
ACD/BCF (pH 5.5): 11.82
ACD/KOC (pH 5.5): 119.27
ACD/LogD (pH 7.4): 0.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.90
Polar Surface Area: 101 Å2
Polarizability:
Surface Tension:
Molar Volume:

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