ChemSpider 2D Image | (5S,6E,8E,10E,12R,14E,17E)-5,12-Dihydroxy-6,8,10,14,17-icosapentaenoic acid | C20H30O4

(5S,6E,8E,10E,12R,14E,17E)-5,12-Dihydroxy-6,8,10,14,17-icosapentaenoic acid

  • Molecular FormulaC20H30O4
  • Average mass334.450 Da
  • Monoisotopic mass334.214417 Da
  • ChemSpider ID57643523

  • 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,17E)-5,12-Dihydroxy-6,8,10,14,17-icosapentaenoic acid [ACD/IUPAC Name]
(5S,6E,8E,10E,12R,14E,17E)-5,12-Dihydroxy-6,8,10,14,17-icosapentaensäure [German] [ACD/IUPAC Name]
6,8,10,14,17-Eicosapentaenoic acid, 5,12-dihydroxy-, (5S,6E,8E,10E,12R,14E,17E)- [ACD/Index Name]
Acide (5S,6E,8E,10E,12R,14E,17E)-5,12-dihydroxy-6,8,10,14,17-icosapentaénoïque [French] [ACD/IUPAC Name]
(5S,12R)-5,12-dihydroxyicosa-6,8,10,14,17-pentaenoic acid
80445-66-5 [RN]
Leukotriene B5

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

Density: 1.1±0.1 g/cm3
Boiling Point: 538.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 93.8±6.0 kJ/mol
Flash Point: 293.7±26.6 °C
Index of Refraction: 1.540
Molar Refractivity: 99.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 3.54
ACD/LogD (pH 5.5): 2.23
ACD/BCF (pH 5.5): 17.65
ACD/KOC (pH 5.5): 150.41
ACD/LogD (pH 7.4): 0.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.37
Polar Surface Area: 78 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 43.4±3.0 dyne/cm
Molar Volume: 317.1±3.0 cm3

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