ChemSpider 2D Image | 12-oxo-20-hydroxyleukotriene B4 | C20H30O5

12-oxo-20-hydroxyleukotriene B4

  • Molecular FormulaC20H30O5
  • Average mass350.449 Da
  • Monoisotopic mass350.209320 Da
  • ChemSpider ID58827555

  • 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

(5S,6Z,8E,10E,14Z)-5,20-Dihydroxy-12-oxo-6,8,10,14-icosatetraenoic acid [ACD/IUPAC Name]
(5S,6Z,8E,10E,14Z)-5,20-Dihydroxy-12-oxo-6,8,10,14-icosatetraensäure [German] [ACD/IUPAC Name]
12-oxo-20-hydroxyleukotriene B4
6,8,10,14-Eicosatetraenoic acid, 5,20-dihydroxy-12-oxo-, (5S,6Z,8E,10E,14Z)- [ACD/Index Name]
Acide (5S,6Z,8E,10E,14Z)-5,20-dihydroxy-12-oxo-6,8,10,14-icosatétraénoïque [French] [ACD/IUPAC Name]
(5S,6Z,8E,10E,14Z)-5,20-dihydroxy-12-oxoicosa-6,8,10,14-tetraenoic acid
12-Oxo-20-hydroxy-leukotriene B4
12-oxo-20-hydroxy-LTB4
  • Miscellaneous

    • Chemical Class:

      A member of the class of leukotrienes that is leukotriene B<smallsub>4</smallsub> in which the hydroxy group at position 12 has been oxidised to the corresponding ketone and one of the methyl hydrogen s at position 20 replaced by a hydroxy group. ChEBI CHEBI:134456
      A member of the class of leukotrienes that is leukotriene B4 in which the hydroxy group at position 12 has been oxidised to the corresponding ketone and one of the methyl hydrogen; s at position 20 re placed by a hydroxy group. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:134456
      A member of the class of leukotrienes that is leukotriene B4 in which the hydroxy group at position 12 has been oxidised to the corresponding ketone and one of the methyl hydrogens at position 20 repl aced by a hydroxy group. ChEBI CHEBI:134456

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

Density: 1.1±0.1 g/cm3
Boiling Point: 568.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 98.0±6.0 kJ/mol
Flash Point: 311.8±26.6 °C
Index of Refraction: 1.534
Molar Refractivity: 99.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 0
ACD/LogP: 1.78
ACD/LogD (pH 5.5): 1.10
ACD/BCF (pH 5.5): 2.44
ACD/KOC (pH 5.5): 36.40
ACD/LogD (pH 7.4): -0.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 95 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 46.1±3.0 dyne/cm
Molar Volume: 320.3±3.0 cm3

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