ChemSpider 2D Image | (5Z,8Z,11S,12S,14Z)-11,12-Dihydroxy-5,8,14-icosatrienoatato | C20H33O4

(5Z,8Z,11S,12S,14Z)-11,12-Dihydroxy-5,8,14-icosatrienoatato

  • Molecular FormulaC20H33O4
  • Average mass337.474 Da
  • Monoisotopic mass337.238434 Da
  • ChemSpider ID76963022

  • 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,11S,12S,14Z)-11,12-Dihydroxy-5,8,14-icosatrienoat [German] [ACD/IUPAC Name]
(5Z,8Z,11S,12S,14Z)-11,12-Dihydroxy-5,8,14-icosatrienoatato [ACD/IUPAC Name]
(5Z,8Z,11S,12S,14Z)-11,12-Dihydroxy-5,8,14-icosatriénoate [French] [ACD/IUPAC Name]
5,8,14-Eicosatrienoato, 11,12-dihydroxy-, ion(1-), (5Z,8Z,11S,12S,14Z)- [ACD/Index Name]
(11S,12S)-DHET(1-)
(11S,12S)-dihydroxy-(5Z,8Z,14Z)-eicosatrienoate
(11S,12S)-dihydroxy-(5Z,8Z,14Z)-icosatrienoate
(5Z,8Z,11S,12S,14Z)-11,12-dihydroxyeicosatrienoate
(5Z,8Z,11S,12S,14Z)-11,12-dihydroxyicosa-5,8,14-trienoate

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

Density:
Boiling Point: 515.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.6±6.0 kJ/mol
Flash Point: 279.4±26.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 0
ACD/LogP: 4.34
ACD/LogD (pH 5.5): 3.66
ACD/BCF (pH 5.5): 227.39
ACD/KOC (pH 5.5): 990.35
ACD/LogD (pH 7.4): 1.87
ACD/BCF (pH 7.4): 3.63
ACD/KOC (pH 7.4): 15.81
Polar Surface Area: 81 Å2
Polarizability:
Surface Tension:
Molar Volume:

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