ChemSpider 2D Image | (5S,6E,8Z,11Z,14Z,16E,18R)-5-Hydroperoxy-18-hydroxy-6,8,11,14,16-icosapentaenoate | C20H29O5

(5S,6E,8Z,11Z,14Z,16E,18R)-5-Hydroperoxy-18-hydroxy-6,8,11,14,16-icosapentaenoate

  • Molecular FormulaC20H29O5
  • Average mass349.442 Da
  • Monoisotopic mass349.202057 Da
  • ChemSpider ID58170274

  • 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,14Z,16E,18R)-5-Hydroperoxy-18-hydroxy-6,8,11,14,16-icosapentaenoat [German] [ACD/IUPAC Name]
(5S,6E,8Z,11Z,14Z,16E,18R)-5-Hydroperoxy-18-hydroxy-6,8,11,14,16-icosapentaenoate [ACD/IUPAC Name]
(5S,6E,8Z,11Z,14Z,16E,18R)-5-Hydroperoxy-18-hydroxy-6,8,11,14,16-icosapentaénoate [French] [ACD/IUPAC Name]
6,8,11,14,16-Eicosapentaenoic acid, 5-hydroperoxy-18-hydroxy-, ion(1-), (5S,6E,8Z,11Z,14Z,16E,18R)- [ACD/Index Name]
(5S)-hydroperoxy-(18R)-hydroxy-(6E,8Z,11Z,14Z,16E)-eicosapentaenoate
(5S)-hydroperoxy-(18R)-hydroxy-(6E,8Z,11Z,14Z,16E)-icosapentaenoate
(5S,6E,8Z,11Z,14Z,16E,18R)-5-hydroperoxy-18-hydroxyicosa-6,8,11,14,16-pentaenoate
18(R)-hydroxy-5(S)-HpEPE(1-)
5(S)-Hp-18(R)-HEPE(1-)
5(S)-hydroperoxy-18(R)-hydroxy-(6E,8Z,11Z,14Z,16E)-eicosapentaenoate
More...
  • Miscellaneous

    • Chemical Class:

      An icosanoid anion arising from deprotonation of the carboxylic acid function of 5(S)-hydroperoxy-18(R)-hydroxy-(6E,8Z,11Z,14Z,16E)-icosapentaenoic acid; major species at pH 7.3. ChEBI CHEBI:132218

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

Density:
Boiling Point: 570.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.2±6.0 kJ/mol
Flash Point: 196.5±23.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 0
ACD/LogP: 4.00
ACD/LogD (pH 5.5): 2.63
ACD/BCF (pH 5.5): 35.20
ACD/KOC (pH 5.5): 244.43
ACD/LogD (pH 7.4): 0.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.85
Polar Surface Area: 90 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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