ChemSpider 2D Image | (5S)-hydroperoxy-18-hydroxy-EPE | C20H30O5

(5S)-hydroperoxy-18-hydroxy-EPE

  • Molecular FormulaC20H30O5
  • Average mass350.449 Da
  • Monoisotopic mass350.209320 Da
  • ChemSpider ID58164190

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(5S)-hydroperoxy-18-hydroxy-EPE
(5S,6E,8Z,11Z,14Z,16E)-5-Hydroperoxy-18-hydroxy-6,8,11,14,16-icosapentaenoic acid [ACD/IUPAC Name]
(5S,6E,8Z,11Z,14Z,16E)-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)- [ACD/Index Name]
Acide (5S,6E,8Z,11Z,14Z,16E)-5-hydroperoxy-18-hydroxy-6,8,11,14,16-icosapentaénoïque [French] [ACD/IUPAC Name]
(5S)-hydroperoxy-18-HEPE
(5S)-hydroperoxy-18-hydroxy-(6E,8Z,11Z,14Z,16E)-eicosapentaenoate
(5S)-hydroperoxy-18-hydroxy-(6E,8Z,11Z,14Z,16E)-eicosapentaenoic acid
(5S)-hydroperoxy-18-hydroxy-(6E,8Z,11Z,14Z,16E)-icosapentaenoate
(5S)-hydroperoxy-18-hydroxy-(6E,8Z,11Z,14Z,16E)-icosapentaenoic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

  • Miscellaneous

    • Chemical Class:

      An icosanoid that is (6<stereo>E</stereo>,8<stereo>Z</stereo>,11<stereo>Z</stereo>,14<stereo>Z</stereo>,16<stereo>E</stereo>)-icosa-6,8,11,14,16-pentaenoic acid substituted at positions 5<stereo>S</st ereo> and 18 by hydroperoxy and hydroxy groups respectively. ChEBI CHEBI:91287
      An icosanoid that is (6E,8Z,11Z,14Z,16E)-icosa-6,8,11,14,16-pentaenoic acid substituted at positions 5S and 18 by hydroperoxy and hydroxy groups respectively. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:91287, CHEBI:91287

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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