ChemSpider 2D Image | (5Z,8Z,11Z,14Z,16E,18S)-18-Hydroxy-5,8,11,14,16-icosapentaenoate | C20H29O3

(5Z,8Z,11Z,14Z,16E,18S)-18-Hydroxy-5,8,11,14,16-icosapentaenoate

  • Molecular FormulaC20H29O3
  • Average mass317.443 Da
  • Monoisotopic mass317.212219 Da
  • ChemSpider ID58170257

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5Z,8Z,11Z,14Z,16E,18S)-18-Hydroxy-5,8,11,14,16-icosapentaenoat [German] [ACD/IUPAC Name]
(5Z,8Z,11Z,14Z,16E,18S)-18-Hydroxy-5,8,11,14,16-icosapentaenoate [ACD/IUPAC Name]
(5Z,8Z,11Z,14Z,16E,18S)-18-Hydroxy-5,8,11,14,16-icosapentaénoate [French] [ACD/IUPAC Name]
5,8,11,14,16-Eicosapentaenoic acid, 18-hydroxy-, ion(1-), (5Z,8Z,11Z,14Z,16E,18S)- [ACD/Index Name]
(18S)-hydroxy-(5Z,8Z,11Z,14Z,16E)-eicosapentaenoate
(18S)-hydroxy-(5Z,8Z,11Z,14Z,16E)-icosapentaenoate
(5Z,8Z,11Z,14Z,16E,18S)-18-hydroxyicosa-5,8,11,14,16-pentaenoate
18(S)-HEPE(1-)
  • Miscellaneous

    • Chemical Class:

      An 18-HEPE(1-) that is the conjugate base of 18(S)-HEPE, arising from deprotonation of the carboxylic acid group; major species at pH 7.3. ChEBI CHEBI:132083

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

Density:
Boiling Point: 488.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 86.9±6.0 kJ/mol
Flash Point: 263.1±25.2 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 4.54
ACD/LogD (pH 5.5): 3.67
ACD/BCF (pH 5.5): 229.20
ACD/KOC (pH 5.5): 996.14
ACD/LogD (pH 7.4): 1.87
ACD/BCF (pH 7.4): 3.66
ACD/KOC (pH 7.4): 15.90
Polar Surface Area: 60 Å2
Polarizability:
Surface Tension:
Molar Volume:

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