ChemSpider 2D Image | (5Z,8Z,11Z,14Z)-16-(3-Ethyl-2-oxiranyl)-5,8,11,14-hexadecatetraenoate | C20H29O3

(5Z,8Z,11Z,14Z)-16-(3-Ethyl-2-oxiranyl)-5,8,11,14-hexadecatetraenoate

  • Molecular FormulaC20H29O3
  • Average mass317.443 Da
  • Monoisotopic mass317.212219 Da
  • ChemSpider ID30786025

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

(5Z,8Z,11Z,14Z)-16-(3-Ethyl-2-oxiranyl)-5,8,11,14-hexadecatetraenoat [German] [ACD/IUPAC Name]
(5Z,8Z,11Z,14Z)-16-(3-Ethyl-2-oxiranyl)-5,8,11,14-hexadecatetraenoate [ACD/IUPAC Name]
(5Z,8Z,11Z,14Z)-16-(3-Éthyl-2-oxiranyl)-5,8,11,14-hexadécatétraénoate [French] [ACD/IUPAC Name]
5,8,11,14-Hexadecatetraenoic acid, 16-(3-ethyloxiranyl)-, ion(1-), (5Z,8Z,11Z,14Z)- [ACD/Index Name]
(5Z,8Z,11Z,14Z)-16-(3-ethyloxiran-2-yl)hexadeca-5,8,11,14-tetraenoate
(5Z,8Z,11Z,14Z)-17,18-epoxyeicosatetraenoate
(5Z,8Z,11Z,14Z)-17,18-epoxyicosatetraenoate
17,18-EETeTr(1-)
17,18-epoxy-(5Z,8Z,11Z,14Z)-eicosatetraenoate
17,18-epoxy-(5Z,8Z,11Z,14Z)-icosatetraenoate
  • Miscellaneous

    • Chemical Class:

      A polyunsaturated fatty acid anion that is the conjugate base of 17,18-EETeTr, obtained by deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:76633

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

Density:
Boiling Point: 464.6±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 79.6±6.0 kJ/mol
Flash Point: 156.7±18.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 5.18
ACD/LogD (pH 5.5): 4.10
ACD/BCF (pH 5.5): 488.68
ACD/KOC (pH 5.5): 1712.77
ACD/LogD (pH 7.4): 2.30
ACD/BCF (pH 7.4): 7.80
ACD/KOC (pH 7.4): 27.34
Polar Surface Area: 53 Å2
Polarizability:
Surface Tension:
Molar Volume:

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