ChemSpider 2D Image | (5S,6E,8Z,11Z,13E,15S)-5,15-Dihydroxy-6,8,11,13-icosatetraenoate | C20H31O4

(5S,6E,8Z,11Z,13E,15S)-5,15-Dihydroxy-6,8,11,13-icosatetraenoate

  • Molecular FormulaC20H31O4
  • Average mass335.458 Da
  • Monoisotopic mass335.222778 Da
  • ChemSpider ID58164092

  • 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,6E,8Z,11Z,13E,15S)-5,15-Dihydroxy-6,8,11,13-icosatetraenoat [German] [ACD/IUPAC Name]
(5S,6E,8Z,11Z,13E,15S)-5,15-Dihydroxy-6,8,11,13-icosatetraenoate [ACD/IUPAC Name]
(5S,6E,8Z,11Z,13E,15S)-5,15-Dihydroxy-6,8,11,13-icosatétraénoate [French] [ACD/IUPAC Name]
6,8,11,13-Eicosatetraenoic acid, 5,15-dihydroxy-, ion(1-), (5S,6E,8Z,11Z,13E,15S)- [ACD/Index Name]
(5S,15S)-dihydroxy-(6E,8Z,11Z,13E)-eicosatetraenoate
(5S,15S)-dihydroxy-(6E,8Z,11Z,13E)-icosatetraenoate
(5S,6E,8Z,11Z,13E,15S)-5,15-dihydroxyicosa-6,8,11,13-tetraenoate
(5S,6E,8Z,11Z,13E,15S)-5,15-dihydroxyicosatetraenoate
5(S),15(S)-DiHETE(1-)
  • Miscellaneous

    • Chemical Class:

      An icosanoid anion that is the conjugate base of 5(S),15(S)-DiHETE, arising from deprotonation of the carboxylic acid function; major species at pH 7.3. ChEBI CHEBI:90813

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

Density:
Boiling Point: 537.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.7±6.0 kJ/mol
Flash Point: 293.0±26.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 0
ACD/LogP: 3.87
ACD/LogD (pH 5.5): 2.48
ACD/BCF (pH 5.5): 27.55
ACD/KOC (pH 5.5): 207.18
ACD/LogD (pH 7.4): 0.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.27
Polar Surface Area: 81 Å2
Polarizability:
Surface Tension:
Molar Volume:

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