ChemSpider 2D Image | (2E,4E,6E,8E,10E,12E)-2,4,6,8,10,12-Docosahexaenoic acid | C22H32O2

(2E,4E,6E,8E,10E,12E)-2,4,6,8,10,12-Docosahexaenoic acid

  • Molecular FormulaC22H32O2
  • Average mass328.488 Da
  • Monoisotopic mass328.240234 Da
  • ChemSpider ID65792732
  • Double-bond stereo - Double-bond stereo


More details:






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

(2E,4E,6E,8E,10E,12E)-2,4,6,8,10,12-Docosahexaenoic acid [ACD/IUPAC Name]
(2E,4E,6E,8E,10E,12E)-2,4,6,8,10,12-Docosahexaensäure [German] [ACD/IUPAC Name]
2,4,6,8,10,12-Docosahexaenoic acid, (2E,4E,6E,8E,10E,12E)- [ACD/Index Name]
Acide (2E,4E,6E,8E,10E,12E)-2,4,6,8,10,12-docosahexaénoïque [French] [ACD/IUPAC Name]
Docosahexaens??ure
docosahexenoic acid

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

Density: 0.9±0.1 g/cm3
Boiling Point: 503.0±19.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 84.5±6.0 kJ/mol
Flash Point: 383.9±12.4 °C
Index of Refraction: 1.521
Molar Refractivity: 105.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 7.78
ACD/LogD (pH 5.5): 6.00
ACD/BCF (pH 5.5): 10820.61
ACD/KOC (pH 5.5): 12066.95
ACD/LogD (pH 7.4): 4.21
ACD/BCF (pH 7.4): 176.50
ACD/KOC (pH 7.4): 196.83
Polar Surface Area: 37 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 36.0±3.0 dyne/cm
Molar Volume: 348.0±3.0 cm3

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