ChemSpider 2D Image | (5R,6Z,8E,14Z)-5-Hydroxy-12-oxo-6,8,14-icosatrienedioic acid | C20H30O6

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

  • Molecular FormulaC20H30O6
  • Average mass366.449 Da
  • Monoisotopic mass366.204254 Da
  • ChemSpider ID30776631

  • 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-icosatriendisäure [German] [ACD/IUPAC Name]
(5R,6Z,8E,14Z)-5-Hydroxy-12-oxo-6,8,14-icosatrienedioic acid [ACD/IUPAC Name]
6,8,14-Eicosatrienedioic acid, 5-hydroxy-12-oxo-, (5R,6Z,8E,14Z)- [ACD/Index Name]
Acide (5R,6Z,8E,14Z)-5-hydroxy-12-oxo-6,8,14-icosatriènedioïque [French] [ACD/IUPAC Name]
(5R,6Z,8E,14Z)-5-hydroxy-12-oxoicosa-6,8,14-trienedioic acid
(5S)-hydroxy-12-oxo-(6Z,8E,14Z)-eicosatrienedioate
(5S)-hydroxy-12-oxo-(6Z,8E,14Z)-eicosatrienedioic acid
12-Oxo-10,11-dihydro-20-carboxy-leukotriene B4
12-Oxo-10,11-dihydro-20-carboxy-LTB(,4)
12-oxo-10,11-dihydro-20-COOH-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: 1.1±0.1 g/cm3
Boiling Point: 612.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.3±6.0 kJ/mol
Flash Point: 338.4±28.0 °C
Index of Refraction: 1.527
Molar Refractivity: 99.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 0
ACD/LogP: 1.90
ACD/LogD (pH 5.5): 0.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.09
ACD/LogD (pH 7.4): -2.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 112 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 48.0±3.0 dyne/cm
Molar Volume: 323.8±3.0 cm3

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