ChemSpider 2D Image | (5R,6E,8Z,11Z,14Z,17Z)-5-Hydroxy-6,8,11,14,17-icosapentaenoic acid | C20H30O3

(5R,6E,8Z,11Z,14Z,17Z)-5-Hydroxy-6,8,11,14,17-icosapentaenoic acid

  • Molecular FormulaC20H30O3
  • Average mass318.450 Da
  • Monoisotopic mass318.219482 Da
  • ChemSpider ID25057526
  • 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

(5R,6E,8Z,11Z,14Z,17Z)-5-Hydroxy-6,8,11,14,17-icosapentaenoic acid [ACD/IUPAC Name]
(5R,6E,8Z,11Z,14Z,17Z)-5-Hydroxy-6,8,11,14,17-icosapentaensäure [German] [ACD/IUPAC Name]
(5R,6E,8Z,11Z,14Z,17Z)-5-hydroxyicosa-6,8,11,14,17-pentaenoic acid
6,8,11,14,17-Eicosapentaenoic acid, 5-hydroxy-, (5R,6E,8Z,11Z,14Z,17Z)- [ACD/Index Name]
Acide (5R,6E,8Z,11Z,14Z,17Z)-5-hydroxy-6,8,11,14,17-icosapentaénoïque [French] [ACD/IUPAC Name]
5HE

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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: 4.88
ACD/LogD (pH 5.5): 3.75
ACD/BCF (pH 5.5): 254.60
ACD/KOC (pH 5.5): 1017.99
ACD/LogD (pH 7.4): 1.95
ACD/BCF (pH 7.4): 4.01
ACD/KOC (pH 7.4): 16.05
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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