ChemSpider 2D Image | (5Z,8Z,13E)-11,12,15-Trihydroxy-5,8,13-icosatrienoate | C20H33O5

(5Z,8Z,13E)-11,12,15-Trihydroxy-5,8,13-icosatrienoate

  • Molecular FormulaC20H33O5
  • Average mass353.474 Da
  • Monoisotopic mass353.233337 Da
  • ChemSpider ID76963485

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

(5Z,8Z,13E)-11,12,15-Trihydroxy-5,8,13-icosatrienoat [German] [ACD/IUPAC Name]
(5Z,8Z,13E)-11,12,15-Trihydroxy-5,8,13-icosatrienoate [ACD/IUPAC Name]
(5Z,8Z,13E)-11,12,15-Trihydroxy-5,8,13-icosatriénoate [French] [ACD/IUPAC Name]
5,8,13-Eicosatrienoic acid, 11,12,15-trihydroxy-, ion(1-), (5Z,8Z,13E)- [ACD/Index Name]
(5Z,8Z,13E)-11,12,15-trihydroxyeicosatrienoate
(5Z,8Z,13E)-11,12,15-trihydroxyicosa-5,8,13-trienoate
(5Z,8Z,13E)-11,12,15-trihydroxyicosatrienoate
11,12,15-trihydroxy-(5Z,8Z,13E)-eicosatrienoate
11,12,15-trihydroxyeicosa-(5Z,8Z,13E)-trienoate
11,12,15-θ(1-)
  • Miscellaneous

    • Chemical Class:

      A trihydroxyicosatrienoate that is the conjugate base of 11,12,15-trihydroxy-(5Z,8Z,13E)-icosatrienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:137341
      A trihydroxyicosatrienoate that is the conjugate base of 11,12,15-trihydroxy-(5Z,8Z,13E)-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:137341

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: 3.11
ACD/LogD (pH 5.5): 1.84
ACD/BCF (pH 5.5): 9.30
ACD/KOC (pH 5.5): 100.48
ACD/LogD (pH 7.4): 0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.60
Polar Surface Area: 101 Å2
Polarizability:
Surface Tension:
Molar Volume:

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