ChemSpider 2D Image | 15-HEDE | C20H36O3

15-HEDE

  • Molecular FormulaC20H36O3
  • Average mass324.498 Da
  • Monoisotopic mass324.266449 Da
  • ChemSpider ID23177608
  • Double-bond stereo - Double-bond stereo


More details:






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

(11Z)-15-hydroxyicosa-11,13-dienoic acid
(11Z,13E)-15-Hydroxy-11,13-icosadienoic acid [ACD/IUPAC Name]
(11Z,13E)-15-Hydroxy-11,13-icosadiensäure [German] [ACD/IUPAC Name]
11,13-Eicosadienoic acid, 15-hydroxy-, (11Z,13E)- [ACD/Index Name]
15-HEDE
77159-57-0 [RN]
Acide (11Z,13E)-15-hydroxy-11,13-icosadiénoïque [French] [ACD/IUPAC Name]
MFCD00216108
(±)15-HEDE
(±)-15-HEDE
More...
  • Miscellaneous
    • Chemical Class:

      A hydroxyeicosadienoic acid that consists of 11<stereo>Z</stereo>,13<stereo>E</stereo>-eicosatrienoic acid bearing a 15-hydroxy substituent. It is produced by non-enzymatic oxidation of 11,14-eicosadi enoic acid. There are no reports in the literature of biological activity associated with 15-HEDE. ChEBI CHEBI:72847
      A hydroxyeicosadienoic acid that consists of 11Z,13E-eicosatrienoic acid bearing a 15-hydroxy substituent. It is produced by non-enzymatic oxidation of 11,14-eicosadi; enoic acid. There are no reports in the literature of biological activity associated with 15-HEDE. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:72847

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

Density: 1.0±0.1 g/cm3
Boiling Point: 475.0±18.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 85.1±6.0 kJ/mol
Flash Point: 255.2±17.7 °C
Index of Refraction: 1.490
Molar Refractivity: 97.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 1
ACD/LogP: 6.39
ACD/LogD (pH 5.5): 5.30
ACD/BCF (pH 5.5): 4015.04
ACD/KOC (pH 5.5): 7847.59
ACD/LogD (pH 7.4): 3.50
ACD/BCF (pH 7.4): 64.40
ACD/KOC (pH 7.4): 125.88
Polar Surface Area: 58 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 37.6±3.0 dyne/cm
Molar Volume: 338.4±3.0 cm3

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