ChemSpider 2D Image | (9S,10E,12Z)-9-Hydroxy-10,12-octadecadienoate | C18H31O3

(9S,10E,12Z)-9-Hydroxy-10,12-octadecadienoate

  • Molecular FormulaC18H31O3
  • Average mass295.438 Da
  • Monoisotopic mass295.227875 Da
  • ChemSpider ID31150410

  • 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

(9S,10E,12Z)-9-Hydroxy-10,12-octadecadienoat [German] [ACD/IUPAC Name]
(9S,10E,12Z)-9-Hydroxy-10,12-octadecadienoate [ACD/IUPAC Name]
(9S,10E,12Z)-9-Hydroxy-10,12-octadécadiénoate [French] [ACD/IUPAC Name]
10,12-Octadecadienoic acid, 9-hydroxy-, ion(1-), (9S,10E,12Z)- [ACD/Index Name]
(9S)-hydroxy-(10E,12Z)-octadecadienoate
(9S,10E,12Z)-9-hydroxyoctadeca-10,12-dienoate
9(S)-HODE(1-)
  • Miscellaneous

    • Chemical Class:

      A hydroxy fatty acid anion obtained by deprotonation of the carboxy group of 9(S)-HODE; major species at pH 7.3. ChEBI CHEBI:77852

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

Density:
Boiling Point: 416.1±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 77.3±6.0 kJ/mol
Flash Point: 219.6±21.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 5.32
ACD/LogD (pH 5.5): 4.47
ACD/BCF (pH 5.5): 937.91
ACD/KOC (pH 5.5): 2767.75
ACD/LogD (pH 7.4): 2.67
ACD/BCF (pH 7.4): 15.04
ACD/KOC (pH 7.4): 44.38
Polar Surface Area: 60 Å2
Polarizability:
Surface Tension:
Molar Volume:

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