ChemSpider 2D Image | (5Z,8Z,10E,12E)-13-[(2S,3S)-3-Pentyl-2-oxiranyl]-5,8,10,12-tridecatetraenoate | C20H29O3

(5Z,8Z,10E,12E)-13-[(2S,3S)-3-Pentyl-2-oxiranyl]-5,8,10,12-tridecatetraenoate

  • Molecular FormulaC20H29O3
  • Average mass317.443 Da
  • Monoisotopic mass317.212219 Da
  • ChemSpider ID58170245

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(5Z,8Z,10E,12E)-13-[(2S,3S)-3-Pentyl-2-oxiranyl]-5,8,10,12-tridecatetraenoat [German] [ACD/IUPAC Name]
(5Z,8Z,10E,12E)-13-[(2S,3S)-3-Pentyl-2-oxiranyl]-5,8,10,12-tridecatetraenoate [ACD/IUPAC Name]
(5Z,8Z,10E,12E)-13-[(2S,3S)-3-Pentyl-2-oxiranyl]-5,8,10,12-tridécatétraénoate [French] [ACD/IUPAC Name]
5,8,10,12-Tridecatetraenoic acid, 13-[(2S,3S)-3-pentyloxiranyl]-, ion(1-), (5Z,8Z,10E,12E)- [ACD/Index Name]
(14S,15S)-epoxy-(5Z,8Z,10E,12E)-eicosatetraenoate
(14S,15S)-epoxy-(5Z,8Z,10E,12E)-icosatetraenoate
(5Z,8Z,10E,12E)-13-[(2S,3S)-3-pentyloxiran-2-yl]trideca-5,8,10,12-tetraenoate
14(S),15(S)-EETeTr(1-)
14(S),15(S)-EpETE(1-)
eoxin A4(1-)
  • Miscellaneous

    • Chemical Class:

      A polyunsaturated fatty acid anion that is the conjugate base of eoxin A4, obtained by deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:132070

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

Density:
Boiling Point: 484.3±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 82.1±6.0 kJ/mol
Flash Point: 165.1±18.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 4.91
ACD/LogD (pH 5.5): 4.52
ACD/BCF (pH 5.5): 1020.12
ACD/KOC (pH 5.5): 2895.29
ACD/LogD (pH 7.4): 2.72
ACD/BCF (pH 7.4): 16.27
ACD/KOC (pH 7.4): 46.18
Polar Surface Area: 53 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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