ChemSpider 2D Image | Ethyl (5Z,8Z,11Z,13E,15S,17Z)-15-hydroxy-5,8,11,13,17-icosapentaenoate | C22H34O3

Ethyl (5Z,8Z,11Z,13E,15S,17Z)-15-hydroxy-5,8,11,13,17-icosapentaenoate

  • Molecular FormulaC22H34O3
  • Average mass346.504 Da
  • Monoisotopic mass346.250793 Da
  • ChemSpider ID81368025

  • 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,13E,15S,17Z)-15-Hydroxy-5,8,11,13,17-icosapentaénoate d'éthyle [French] [ACD/IUPAC Name]
5,8,11,13,17-Eicosapentaenoic acid, 15-hydroxy-, ethyl ester, (5Z,8Z,11Z,13E,15S,17Z)- [ACD/Index Name]
Ethyl (5Z,8Z,11Z,13E,15S,17Z)-15-hydroxy-5,8,11,13,17-icosapentaenoate [ACD/IUPAC Name]
Ethyl-(5Z,8Z,11Z,13E,15S,17Z)-15-hydroxy-5,8,11,13,17-icosapentaenoat [German] [ACD/IUPAC Name]
1667760-39-5 [RN]
Epeleuton [INN]
ethyl (5Z,8Z,11Z,13E,15S,17Z)-15-hydroxyicosa-5,8,11,13,17-pentaenoate

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

Density: 1.0±0.1 g/cm3
Boiling Point: 460.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 83.1±6.0 kJ/mol
Flash Point: 174.3±21.5 °C
Index of Refraction: 1.507
Molar Refractivity: 107.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 5.85
ACD/LogD (pH 5.5): 5.51
ACD/BCF (pH 5.5): 9107.29
ACD/KOC (pH 5.5): 23753.11
ACD/LogD (pH 7.4): 5.51
ACD/BCF (pH 7.4): 9107.29
ACD/KOC (pH 7.4): 23753.11
Polar Surface Area: 47 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 35.6±3.0 dyne/cm
Molar Volume: 361.1±3.0 cm3

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