ChemSpider 2D Image | (7S,8S,9Z,12Z)-7,8-Dihydroxy-9,12-octadecadienoate | C18H31O4

(7S,8S,9Z,12Z)-7,8-Dihydroxy-9,12-octadecadienoate

  • Molecular FormulaC18H31O4
  • Average mass311.437 Da
  • Monoisotopic mass311.222778 Da
  • ChemSpider ID26330797

  • 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

(7S,8S,9Z,12Z)-7,8-Dihydroxy-9,12-octadecadienoat [German] [ACD/IUPAC Name]
(7S,8S,9Z,12Z)-7,8-Dihydroxy-9,12-octadecadienoate [ACD/IUPAC Name]
(7S,8S,9Z,12Z)-7,8-Dihydroxy-9,12-octadécadiénoate [French] [ACD/IUPAC Name]
9,12-Octadecadienoic acid, 7,8-dihydroxy-, ion(1-), (7S,8S,9Z,12Z)- [ACD/Index Name]
(7S,8S,9Z,12Z)-7,8-dihydroxyoctadeca-9,12-dienoate
7(S),8(S)-DiHODE anion
7(S),8(S)-DiHODE(1-)
  • Miscellaneous

    • Chemical Class:

      Conjugate base of 7(S),8(S)-DiHODE arising from deprotonation of the carboxylic acid function. ChEBI CHEBI:57468

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

Density:
Boiling Point: 476.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 85.3±6.0 kJ/mol
Flash Point: 255.9±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: 3.90
ACD/LogD (pH 5.5): 3.18
ACD/BCF (pH 5.5): 97.42
ACD/KOC (pH 5.5): 542.50
ACD/LogD (pH 7.4): 1.38
ACD/BCF (pH 7.4): 1.56
ACD/KOC (pH 7.4): 8.67
Polar Surface Area: 81 Å2
Polarizability:
Surface Tension:
Molar Volume:

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