ChemSpider 2D Image | 18S-HEPE | C20H30O3

18S-HEPE

  • Molecular FormulaC20H30O3
  • Average mass318.450 Da
  • Monoisotopic mass318.219482 Da
  • ChemSpider ID32801870
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(5Z,8Z,11Z,14Z,16E,18S)-18-Hydroxy-5,8,11,14,16-icosapentaenoic acid [ACD/IUPAC Name]
(5Z,8Z,11Z,14Z,16E,18S)-18-Hydroxy-5,8,11,14,16-icosapentaensäure [German] [ACD/IUPAC Name]
18(S)-HEPE
18S-HEPE
5,8,11,14,16-Eicosapentaenoic acid, 18-hydroxy-, (5Z,8Z,11Z,14Z,16E,18S)- [ACD/Index Name]
Acide (5Z,8Z,11Z,14Z,16E,18S)-18-hydroxy-5,8,11,14,16-icosapentaénoïque [French] [ACD/IUPAC Name]
(18S)-hydroxy-(5Z,8Z,11Z,14Z,16E)-eicosapentaenoic acid
(18S)-hydroxy-(5Z,8Z,11Z,14Z,16E)-icosapentaenoic acid
(5Z,8Z,11Z,14Z,16E,18S)-18-hydroxyicosa-5,8,11,14,16-pentaenoic acid
18S-hydroxy-5Z,8Z,11Z,14Z,16E-eicosapentaenoic acid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 488.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 86.9±6.0 kJ/mol
Flash Point: 263.1±25.2 °C
Index of Refraction: 1.526
Molar Refractivity: 98.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 4.54
ACD/LogD (pH 5.5): 3.67
ACD/BCF (pH 5.5): 229.20
ACD/KOC (pH 5.5): 996.14
ACD/LogD (pH 7.4): 1.87
ACD/BCF (pH 7.4): 3.66
ACD/KOC (pH 7.4): 15.90
Polar Surface Area: 58 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 39.4±3.0 dyne/cm
Molar Volume: 319.3±3.0 cm3

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