ChemSpider 2D Image | (6E,8Z,11Z,14Z)-5-Oxo-6,8,11,14-icosatetraenoate | C20H29O3

(6E,8Z,11Z,14Z)-5-Oxo-6,8,11,14-icosatetraenoate

  • Molecular FormulaC20H29O3
  • Average mass317.443 Da
  • Monoisotopic mass317.212219 Da
  • ChemSpider ID28532914

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

(6E,8Z,11Z,14Z)-5-Oxo-6,8,11,14-icosatetraenoat [German] [ACD/IUPAC Name]
(6E,8Z,11Z,14Z)-5-Oxo-6,8,11,14-icosatetraenoate [ACD/IUPAC Name]
(6E,8Z,11Z,14Z)-5-Oxo-6,8,11,14-icosatétraénoate [French] [ACD/IUPAC Name]
6,8,11,14-Eicosatetraenoic acid, 5-oxo-, ion(1-), (6E,8Z,11Z,14Z)- [ACD/Index Name]
(6E,8Z,11Z,14Z)-5-oxoeicosa-6,8,11,14-tetraenoate
(6E,8Z,11Z,14Z)-5-oxoicosa-6,8,11,14-tetraenoate
5-oxo-(6E,8Z,11Z,14Z)-eicosatetraenoate
5-oxo-6E,8Z,11Z,14Z-eicosatetraenoate
5-oxo-6E,8Z,11Z,14Z-icosatetraenoate
5-oxo-ETE(1-)
  • Miscellaneous

    • Chemical Class:

      A long-chain fatty acid anion that is the conjugate base of 5-oxo-ETE, obtained by deprotonation of the carboxy group. ChEBI CHEBI:65342

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

Density:
Boiling Point: 495.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 83.5±6.0 kJ/mol
Flash Point: 267.3±25.2 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 5.24
ACD/LogD (pH 5.5): 4.59
ACD/BCF (pH 5.5): 1076.56
ACD/KOC (pH 5.5): 2754.14
ACD/LogD (pH 7.4): 2.79
ACD/BCF (pH 7.4): 16.92
ACD/KOC (pH 7.4): 43.28
Polar Surface Area: 57 Å2
Polarizability:
Surface Tension:
Molar Volume:

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