Found 1 result

Search term: BZDHSIPNZCHPKA-SXRGNVKZSA-M (Found by InChIKey (full match))
ChemSpider 2D Image | (5S,6Z,8E,12S,14Z)-5,12,20,20-Tetrahydroxy-6,8,14-icosatrienoate | C20H33O6

(5S,6Z,8E,12S,14Z)-5,12,20,20-Tetrahydroxy-6,8,14-icosatrienoate

  • Molecular FormulaC20H33O6
  • Average mass369.473 Da
  • Monoisotopic mass369.228271 Da
  • ChemSpider ID58170377

  • 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,12S,14Z)-5,12,20,20-Tetrahydroxy-6,8,14-icosatrienoat [German] [ACD/IUPAC Name]
(5S,6Z,8E,12S,14Z)-5,12,20,20-Tetrahydroxy-6,8,14-icosatrienoate [ACD/IUPAC Name]
(5S,6Z,8E,12S,14Z)-5,12,20,20-Tétrahydroxy-6,8,14-icosatriénoate [French] [ACD/IUPAC Name]
6,8,14-Eicosatrienoic acid, 5,12,20,20-tetrahydroxy-, ion(1-), (5S,6Z,8E,12S,14Z)- [ACD/Index Name]
(5R,12R,20,20)-tetrahydroxy-(6Z,8E,14Z)-icosatrienoate(1-)
(5S,12S,20,20)-tetrahydroxy-(6Z,8E,14Z)-icosatrienoate
(5S,6Z,8E,12S,14Z)-5,12,20,20-tetrahydroxyicosa-6,8,14-trienoate
10,11-dihydro-20,20-dihydroxyleukotriene B4(1-)
10,11-dihydro-20-dihydroxy-leukotriene B4
10,11-dihydro-20-dihydroxy-leukotriene B4(1-)
  • Miscellaneous

    • Chemical Class:

      An icosanoid anion that is the conjugate base of 10,11-dihydro-20,20-dihydroxyleukotriene B4, obtained by deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:133322

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

Density:
Boiling Point: 595.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.8±6.0 kJ/mol
Flash Point: 327.8±26.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 1
ACD/LogP: 0.81
ACD/LogD (pH 5.5): -0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.49
ACD/LogD (pH 7.4): -2.09
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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