ChemSpider 2D Image | (5R,6Z,8E,10E,14Z)-5,20,20-Trihydroxy-12-oxo-6,8,10,14-icosatetraenoic acid | C20H30O6

(5R,6Z,8E,10E,14Z)-5,20,20-Trihydroxy-12-oxo-6,8,10,14-icosatetraenoic acid

  • Molecular FormulaC20H30O6
  • Average mass366.449 Da
  • Monoisotopic mass366.204254 Da
  • ChemSpider ID30776632

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5R,6Z,8E,10E,14Z)-5,20,20-Trihydroxy-12-oxo-6,8,10,14-icosatetraenoic acid [ACD/IUPAC Name]
(5R,6Z,8E,10E,14Z)-5,20,20-Trihydroxy-12-oxo-6,8,10,14-icosatetraensäure [German] [ACD/IUPAC Name]
6,8,10,14-Eicosatetraenoic acid, 5,20,20-trihydroxy-12-oxo-, (5R,6Z,8E,10E,14Z)- [ACD/Index Name]
Acide (5R,6Z,8E,10E,14Z)-5,20,20-trihydroxy-12-oxo-6,8,10,14-icosatétraénoïque [French] [ACD/IUPAC Name]
(5R,6Z,8E,10E,14Z)-5,20,20-trihydroxy-12-oxoicosa-6,8,10,14-tetraenoic acid
(5S,20,20)-trihydroxy-12-keto-(6Z,8E,10E,14Z)-eicosatetraenoate
(5S,20,20)-trihydroxy-12-keto-(6Z,8E,10E,14Z)-eicosatetraenoic acid
(5S,20,20)-trihydroxy-12-oxo-(6Z,8E,10E,14Z)-eicosatetraenoate
(5S,20,20)-trihydroxy-12-oxo-(6Z,8E,10E,14Z)-eicosatetraenoic acid
12-Keto-20,20-dihydroxy-leukotriene B(,4)
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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: 1.2±0.1 g/cm3
Boiling Point: 587.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.8±6.0 kJ/mol
Flash Point: 323.4±26.6 °C
Index of Refraction: 1.548
Molar Refractivity: 101.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 0
ACD/LogP: 0.39
ACD/LogD (pH 5.5): -0.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.79
ACD/LogD (pH 7.4): -2.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 115 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 50.6±3.0 dyne/cm
Molar Volume: 318.1±3.0 cm3

Click to predict properties on the Chemicalize site


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