ChemSpider 2D Image | (5Z,8Z,11Z)-14,15-Dihydroxy(16,16,17,17,18,18,19,19,20,20,20-~2~H_11_)-5,8,11-icosatrienoic acid | C20H23D11O4

(5Z,8Z,11Z)-14,15-Dihydroxy(16,16,17,17,18,18,19,19,20,20,20-2H11)-5,8,11-icosatrienoic acid

  • Molecular FormulaC20H23D11O4
  • Average mass349.549 Da
  • Monoisotopic mass349.314758 Da
  • ChemSpider ID21467638
  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope


More details:






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

(5Z,8Z,11Z)-14,15-Dihydroxy(16,16,17,17,18,18,19,19,20,20,20-2H11)-5,8,11-icosatrienoic acid [ACD/IUPAC Name]
(5Z,8Z,11Z)-14,15-Dihydroxy(16,16,17,17,18,18,19,19,20,20,20-2H11)-5,8,11-icosatriensäure [German] [ACD/IUPAC Name]
5,8,11-Eicosatrienoic-16,16,17,17,18,18,19,19,20,20,20-d11 acid, 14,15-dihydroxy-, (5Z,8Z,11Z)- [ACD/Index Name]
Acide (5Z,8Z,11Z)-14,15-dihydroxy(16,16,17,17,18,18,19,19,20,20,20-2H11)-5,8,11-icosatriénoïque [French] [ACD/IUPAC Name]
(±)14,15-DHET-d11

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
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: 1.515
Molar Refractivity: 99.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 0
ACD/LogP: 4.03
ACD/LogD (pH 5.5): 3.72
ACD/BCF (pH 5.5): 253.64
ACD/KOC (pH 5.5): 1071.10
ACD/LogD (pH 7.4): 1.93
ACD/BCF (pH 7.4): 4.05
ACD/KOC (pH 7.4): 17.09
Polar Surface Area: 78 Å2
Polarizability: 39.4±0.5 10-24cm3
Surface Tension: 41.9±3.0 dyne/cm
Molar Volume: 329.9±3.0 cm3

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