ChemSpider 2D Image | (5S,6E,8E,10E,12R,14E)-20,20,20-Trifluoro-5,12-dihydroxy-6,8,10,14-icosatetraenoic acid | C20H29F3O4

(5S,6E,8E,10E,12R,14E)-20,20,20-Trifluoro-5,12-dihydroxy-6,8,10,14-icosatetraenoic acid

  • Molecular FormulaC20H29F3O4
  • Average mass390.437 Da
  • Monoisotopic mass390.201782 Da
  • ChemSpider ID31044610
  • 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,6E,8E,10E,12R,14E)-20,20,20-Trifluor-5,12-dihydroxy-6,8,10,14-icosatetraensäure [German] [ACD/IUPAC Name]
(5S,6E,8E,10E,12R,14E)-20,20,20-Trifluoro-5,12-dihydroxy-6,8,10,14-icosatetraenoic acid [ACD/IUPAC Name]
6,8,10,14-Eicosatetraenoic acid, 20,20,20-trifluoro-5,12-dihydroxy-, (5S,6E,8E,10E,12R,14E)- [ACD/Index Name]
Acide (5S,6E,8E,10E,12R,14E)-20,20,20-trifluoro-5,12-dihydroxy-6,8,10,14-icosatétraénoïque [French] [ACD/IUPAC Name]
115178-97-7 [RN]
20-trifluoro Leukotriene B4

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

Density: 1.1±0.1 g/cm3
Boiling Point: 530.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 92.7±6.0 kJ/mol
Flash Point: 274.6±30.1 °C
Index of Refraction: 1.500
Molar Refractivity: 99.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 0
ACD/LogP: 3.07
ACD/LogD (pH 5.5): 2.19
ACD/BCF (pH 5.5): 16.54
ACD/KOC (pH 5.5): 143.55
ACD/LogD (pH 7.4): 0.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.26
Polar Surface Area: 78 Å2
Polarizability: 39.6±0.5 10-24cm3
Surface Tension: 39.2±3.0 dyne/cm
Molar Volume: 339.9±3.0 cm3

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