ChemSpider 2D Image | (5S)-hydroperoxy-(18S)-hydroxy-(6E,8Z,11Z,14Z,16E)-icosapentaenoic acid | C20H30O5

(5S)-hydroperoxy-(18S)-hydroxy-(6E,8Z,11Z,14Z,16E)-icosapentaenoic acid

  • Molecular FormulaC20H30O5
  • Average mass350.449 Da
  • Monoisotopic mass350.209320 Da
  • ChemSpider ID58170333

  • 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)-hydroperoxy-(18S)-hydroxy-(6E,8Z,11Z,14Z,16E)-icosapentaenoic acid
(5S,6E,8Z,11Z,14Z,16E,18S)-5-Hydroperoxy-18-hydroxy-6,8,11,14,16-icosapentaenoic acid [ACD/IUPAC Name]
(5S,6E,8Z,11Z,14Z,16E,18S)-5-Hydroperoxy-18-hydroxy-6,8,11,14,16-icosapentaensäure [German] [ACD/IUPAC Name]
6,8,11,14,16-Eicosapentaenoic acid, 5-hydroperoxy-18-hydroxy-, (5S,6E,8Z,11Z,14Z,16E,18S)- [ACD/Index Name]
Acide (5S,6E,8Z,11Z,14Z,16E,18S)-5-hydroperoxy-18-hydroxy-6,8,11,14,16-icosapentaénoïque [French] [ACD/IUPAC Name]
(5S)-hydroperoxy-(18S)-hydroxy-(6E,8Z,11Z,14Z,16E)-eicosapentaenoic acid
(5S,6E,8Z,11Z,14Z,16E,18S)-5-hydroperoxy-18-hydroxyicosa-6,8,11,14,16-pentaenoic acid
18(S)-hydroxy-5(S)-HpEPE
18(S)-OH-5(S)-HpEPE
5S-Hp-18S-HEPE
More...
  • Miscellaneous

    • Chemical Class:

      A polyunsaturated fatty acid that is (6<stereo>E</stereo>,8<stereo>Z</stereo>,11<stereo>Z</stereo>,14<stereo>Z</stereo>,16<stereo>E</stereo>)-icosapentaenoic acid substituted at positions 5 and 18 by hydroperoxy and hydroxy groups respectively (the 5<stereo>S</stereo>, 18<stereo>S</stereo>-stereoisomer). ChEBI CHEBI:132802
      A polyunsaturated fatty acid that is (6E,8Z,11Z,14Z,16E)-icosapentaenoic acid substituted at positions 5 and 18 by ; hydroperoxy and hydroxy groups respectively (the 5S, 18S-stereoisomer). ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:132802
      A polyunsaturated fatty acid that is (6E,8Z,11Z,14Z,16E)-icosapentaenoic acid substituted at positions 5 and 18 by hydroperoxy and hydroxy groups respectively (the 5S, 18S-stereoisomer). ChEBI CHEBI:132802

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

Density: 1.1±0.1 g/cm3
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: 1.539
Molar Refractivity: 101.3±0.3 cm3
#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: 87 Å2
Polarizability: 40.2±0.5 10-24cm3
Surface Tension: 44.1±3.0 dyne/cm
Molar Volume: 323.5±3.0 cm3

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