ChemSpider 2D Image | (5R,8E,10E,12R,14Z)-5,12-Dihydroxy-8,10,14-icosatrienoic acid | C20H34O4

(5R,8E,10E,12R,14Z)-5,12-Dihydroxy-8,10,14-icosatrienoic acid

  • Molecular FormulaC20H34O4
  • Average mass338.482 Da
  • Monoisotopic mass338.245697 Da
  • ChemSpider ID30776654

  • 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

(5R,8E,10E,12R,14Z)-5,12-Dihydroxy-8,10,14-icosatrienoic acid [ACD/IUPAC Name]
(5R,8E,10E,12R,14Z)-5,12-Dihydroxy-8,10,14-icosatriensäure [German] [ACD/IUPAC Name]
8,10,14-Eicosatrienoic acid, 5,12-dihydroxy-, (5R,8E,10E,12R,14Z)- [ACD/Index Name]
Acide (5R,8E,10E,12R,14Z)-5,12-dihydroxy-8,10,14-icosatriénoïque [French] [ACD/IUPAC Name]
(5R,8E,10E,12R,14Z)-5,12-dihydroxyicosa-8,10,14-trienoic acid
(5S,12S)-dihydroxy-(8E,10E,14Z)-eicosatrienoate
(5S,12S)-dihydroxy-(8E,10E,14Z)-eicosatrienoic acid
5S12SECtr
6,7-Dihydro-12-epi-leukotriene B(,4)
6,7-dihydro-12-epi-LTB4

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

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

Density: 1.0±0.1 g/cm3
Boiling Point: 525.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 92.0±6.0 kJ/mol
Flash Point: 285.9±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: 4.17
ACD/LogD (pH 5.5): 2.72
ACD/BCF (pH 5.5): 42.27
ACD/KOC (pH 5.5): 287.55
ACD/LogD (pH 7.4): 0.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.55
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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