ChemSpider 2D Image | (4Z,7Z,10Z,13Z,16Z,19Z)-22-Hydroxy-4,7,10,13,16,19-docosahexaenoate | C22H31O3


  • Molecular FormulaC22H31O3
  • Average mass343.480 Da
  • Monoisotopic mass343.227875 Da
  • ChemSpider ID30786126
  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

(4Z,7Z,10Z,13Z,16Z,19Z)-22-Hydroxy-4,7,10,13,16,19-docosahexaenoat [German] [ACD/IUPAC Name]
(4Z,7Z,10Z,13Z,16Z,19Z)-22-Hydroxy-4,7,10,13,16,19-docosahexaenoate [ACD/IUPAC Name]
(4Z,7Z,10Z,13Z,16Z,19Z)-22-Hydroxy-4,7,10,13,16,19-docosahexaénoate [French] [ACD/IUPAC Name]
4,7,10,13,16,19-Docosahexaenoic acid, 22-hydroxy-, ion(1-), (4Z,7Z,10Z,13Z,16Z,19Z)- [ACD/Index Name]
  • Miscellaneous
    • Chemical Class:

      A polyunsaturated fatty acid anion that is the conjugate base of (4Z,7Z,10Z,13Z,16Z,19Z)-22-hydrox; ydocosahexaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:77015

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

Boiling Point: 503.6±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 89.0±6.0 kJ/mol
Flash Point: 272.5±23.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 0
ACD/LogP: 4.96
ACD/LogD (pH 5.5): 3.95
ACD/BCF (pH 5.5): 347.90
ACD/KOC (pH 5.5): 1218.16
ACD/LogD (pH 7.4): 2.15
ACD/BCF (pH 7.4): 5.47
ACD/KOC (pH 7.4): 19.14
Polar Surface Area: 60 Å2
Surface Tension:
Molar Volume:

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