ChemSpider 2D Image | (5R,6Z,8E,14Z)-5-Hydroxy-12-oxo-6,8,14-icosatrienoic acid | C20H32O4

(5R,6Z,8E,14Z)-5-Hydroxy-12-oxo-6,8,14-icosatrienoic acid

  • Molecular FormulaC20H32O4
  • Average mass336.466 Da
  • Monoisotopic mass336.230072 Da
  • ChemSpider ID30776617

  • 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,14Z)-5-Hydroxy-12-oxo-6,8,14-icosatrienoic acid [ACD/IUPAC Name]
(5R,6Z,8E,14Z)-5-Hydroxy-12-oxo-6,8,14-icosatriensäure [German] [ACD/IUPAC Name]
6,8,14-Eicosatrienoic acid, 5-hydroxy-12-oxo-, (5R,6Z,8E,14Z)- [ACD/Index Name]
Acide (5R,6Z,8E,14Z)-5-hydroxy-12-oxo-6,8,14-icosatriénoïque [French] [ACD/IUPAC Name]
(5R,6Z,8E,14Z)-5-hydroxy-12-oxoicosa-6,8,14-trienoic acid
10,11-dihydro-12-oxo-LTB4
12-Oxo-(5S)-hydroxy-(6Z,8E,14Z)-eicosatrienoate
12-Oxo-(5S)-hydroxy-(6Z,8E,14Z)-eicosatrienoic acid
12-Oxo-(5S)-hydroxy-(6Z,8E,14Z)-eicosatrienoic acid anion
12-Oxo-10,11-dihydro-LTB(,4)

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: 523.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.7±6.0 kJ/mol
Flash Point: 284.5±26.6 °C
Index of Refraction: 1.507
Molar Refractivity: 98.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 0
ACD/LogP: 3.94
ACD/LogD (pH 5.5): 2.96
ACD/BCF (pH 5.5): 63.27
ACD/KOC (pH 5.5): 375.77
ACD/LogD (pH 7.4): 1.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.92
Polar Surface Area: 75 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 40.5±3.0 dyne/cm
Molar Volume: 329.1±3.0 cm3

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