ChemSpider 2D Image | 12-epi Leukotriene B4-d4 | C20H28D4O4

12-epi Leukotriene B4-d4

  • Molecular FormulaC20H28D4O4
  • Average mass340.490 Da
  • Monoisotopic mass340.255157 Da
  • ChemSpider ID29341887

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(5S,6Z,8E,10E,12S,14Z)-5,12-Dihydroxy(6,7,14,15-2H4)-6,8,10,14-icosatetraenoic acid [ACD/IUPAC Name]
(5S,6Z,8E,10E,12S,14Z)-5,12-Dihydroxy(6,7,14,15-2H4)-6,8,10,14-icosatetraensäure [German] [ACD/IUPAC Name]
12-epi Leukotriene B4-d4
6,8,10,14-Eicosatetraenoic-6,7,14,15-d4 acid, 5,12-dihydroxy-, (5S,6Z,8E,10E,12S,14Z)- [ACD/Index Name]
Acide (5S,6Z,8E,10E,12S,14Z)-5,12-dihydroxy(6,7,14,15-2H4)-6,8,10,14-icosatétraénoïque [French] [ACD/IUPAC Name]
5S,12S-dihydroxy-6Z,8E,10E,14Z-eicosatetraenoic-6,7,14,15-d4 acid

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

Density: 1.0±0.1 g/cm3
Boiling Point: 536.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.5±6.0 kJ/mol
Flash Point: 292.3±26.6 °C
Index of Refraction: 1.527
Molar Refractivity: 99.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 0
ACD/LogP: 4.06
ACD/LogD (pH 5.5): 2.53
ACD/BCF (pH 5.5): 29.95
ACD/KOC (pH 5.5): 219.63
ACD/LogD (pH 7.4): 0.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.46
Polar Surface Area: 78 Å2
Polarizability: 39.4±0.5 10-24cm3
Surface Tension: 42.6±3.0 dyne/cm
Molar Volume: 323.5±3.0 cm3

Click to predict properties on the Chemicalize site


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