Found 1 result

Search term: CPTWPKCLDUXOKW-RBQYXHKQSA-M (Found by InChIKey (full match))
ChemSpider 2D Image | (5S,6Z,8E,10E,14Z)-5-Hydroxy-12,20-dioxo-6,8,10,14-icosatetraenoate | C20H27O5

(5S,6Z,8E,10E,14Z)-5-Hydroxy-12,20-dioxo-6,8,10,14-icosatetraenoate

  • Molecular FormulaC20H27O5
  • Average mass347.426 Da
  • Monoisotopic mass347.186401 Da
  • ChemSpider ID58170398

  • Charge - Charge

    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-Hydroxy-12,20-dioxo-6,8,10,14-icosatetraenoat [German] [ACD/IUPAC Name]
(5S,6Z,8E,10E,14Z)-5-Hydroxy-12,20-dioxo-6,8,10,14-icosatetraenoate [ACD/IUPAC Name]
(5S,6Z,8E,10E,14Z)-5-Hydroxy-12,20-dioxo-6,8,10,14-icosatétraénoate [French] [ACD/IUPAC Name]
6,8,10,14-Eicosatetraenoic acid, 5-hydroxy-12,20-dioxo-, ion(1-), (5S,6Z,8E,10E,14Z)- [ACD/Index Name]
(5S,6Z,8E,10E,14Z)-5-hydroxy-12,20-dioxoicosa-6,8,10,14-tetraenoate
12,20-Dioxo-leukotriene B4 (1-)
12,20-dioxoleukotriene B4(1-)
12,20-dioxo-leukotriene B4(1-)
12,20-dioxo-LTB4(1-)
  • Miscellaneous

    • Chemical Class:

      A leukotriene anion that is the conjugate base of 12,20-dioxoleukotriene B4, obtained by deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:133436

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

Density:
Boiling Point: 563.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.3±6.0 kJ/mol
Flash Point: 308.8±26.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 0
ACD/LogP: 1.88
ACD/LogD (pH 5.5): 1.18
ACD/BCF (pH 5.5): 2.80
ACD/KOC (pH 5.5): 40.17
ACD/LogD (pH 7.4): -0.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 95 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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