Found 1 result

Search term: ZZSBUQYGAPWEOJ-VFLUTPEKSA-M (Found by InChIKey (full match))
ChemSpider 2D Image | (5S,6Z,8E,10E,12R,14Z)-5,12,20,20-Tetrahydroxy-6,8,10,14-icosatetraenoate | C20H31O6

(5S,6Z,8E,10E,12R,14Z)-5,12,20,20-Tetrahydroxy-6,8,10,14-icosatetraenoate

  • Molecular FormulaC20H31O6
  • Average mass367.457 Da
  • Monoisotopic mass367.212616 Da
  • ChemSpider ID58170399

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(5S,6Z,8E,10E,12R,14Z)-5,12,20,20-Tetrahydroxy-6,8,10,14-icosatetraenoat [German] [ACD/IUPAC Name]
(5S,6Z,8E,10E,12R,14Z)-5,12,20,20-Tetrahydroxy-6,8,10,14-icosatetraenoate [ACD/IUPAC Name]
(5S,6Z,8E,10E,12R,14Z)-5,12,20,20-Tétrahydroxy-6,8,10,14-icosatétraénoate [French] [ACD/IUPAC Name]
6,8,10,14-Eicosatetraenoic acid, 5,12,20,20-tetrahydroxy-, ion(1-), (5S,6Z,8E,10E,12R,14Z)- [ACD/Index Name]
(5S,6Z,8E,10E,12R,14Z)-5,12,20,20-tetrahydroxyicosa-6,8,10,14-tetraenoate
20,20-dihydroxyleukotriene B4(1-)
20-dihydroxyleukotriene B4 (1-)
20-dihydroxyleukotriene B4(1-)
20-dihydroxy-leukotriene B4(1-)
20-dihydroxy-LTB4(1-)
  • Miscellaneous

    • Chemical Class:

      A leukotriene anion that is the conjugate base of 20,20-dihydroxyleukotriene B4, obtained by deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:133437

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

Density:
Boiling Point: 602.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.8±6.0 kJ/mol
Flash Point: 331.9±28.0 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 0.66
ACD/LogD (pH 5.5): -0.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.42
ACD/LogD (pH 7.4): -2.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 121 Å2
Polarizability:
Surface Tension:
Molar Volume:

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