ChemSpider 2D Image | 5(S),8(R)-DiHODE(1-) | C18H31O4

5(S),8(R)-DiHODE(1-)

  • Molecular FormulaC18H31O4
  • Average mass311.437 Da
  • Monoisotopic mass311.222778 Da
  • ChemSpider ID26333030

  • 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

(5S,8R,9Z,12Z)-5,8-Dihydroxy-9,12-octadecadienoat [German] [ACD/IUPAC Name]
(5S,8R,9Z,12Z)-5,8-Dihydroxy-9,12-octadecadienoate [ACD/IUPAC Name]
(5S,8R,9Z,12Z)-5,8-Dihydroxy-9,12-octadécadiénoate [French] [ACD/IUPAC Name]
5(S),8(R)-DiHODE(1-)
9,12-Octadecadienoic acid, 5,8-dihydroxy-, ion(1-), (5S,8R,9Z,12Z)- [ACD/Index Name]
(5S,8R,9Z,12Z)-5,8-dihydroxyoctadeca-9,12-dienoate

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

CHEBI:63217 [DBID]
  • Miscellaneous

    • Chemical Class:

      A monocarboxylic acid anion resulting from the deprotonation of the carboxy group of 5(S),8(R)-DiHODE. The major species at pH 7.3. ChEBI CHEBI:63217

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

Density:
Boiling Point: 467.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 84.1±6.0 kJ/mol
Flash Point: 250.8±25.2 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 0
ACD/LogP: 3.68
ACD/LogD (pH 5.5): 2.62
ACD/BCF (pH 5.5): 35.50
ACD/KOC (pH 5.5): 253.93
ACD/LogD (pH 7.4): 0.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.02
Polar Surface Area: 81 Å2
Polarizability:
Surface Tension:
Molar Volume:

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