ChemSpider 2D Image | (4Z,7Z,10Z,13Z,15E,17R,19Z)-17-Hydroxy-4,7,10,13,15,19-docosahexaenoate | C22H31O3


  • Molecular FormulaC22H31O3
  • Average mass343.480 Da
  • Monoisotopic mass343.227875 Da
  • ChemSpider ID58164093
  • Charge - Charge

    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

(4Z,7Z,10Z,13Z,15E,17R,19Z)-17-Hydroxy-4,7,10,13,15,19-docosahexaenoat [German] [ACD/IUPAC Name]
(4Z,7Z,10Z,13Z,15E,17R,19Z)-17-Hydroxy-4,7,10,13,15,19-docosahexaenoate [ACD/IUPAC Name]
(4Z,7Z,10Z,13Z,15E,17R,19Z)-17-Hydroxy-4,7,10,13,15,19-docosahexaénoate [French] [ACD/IUPAC Name]
4,7,10,13,15,19-Docosahexaenoic acid, 17-hydroxy-, ion(1-), (4Z,7Z,10Z,13Z,15E,17R,19Z)- [ACD/Index Name]
  • Miscellaneous
    • Chemical Class:

      A hydroxy polyunsaturated fatty acid anion that is the conjugate base of 17(R)-HDoHE arising from deprotonation of the carboxylic acid function; major species at pH 7.3. ChEBI CHEBI:90814

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

Boiling Point: 505.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 89.2±6.0 kJ/mol
Flash Point: 273.4±26.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 5.32
ACD/LogD (pH 5.5): 4.11
ACD/BCF (pH 5.5): 456.25
ACD/KOC (pH 5.5): 1478.96
ACD/LogD (pH 7.4): 2.30
ACD/BCF (pH 7.4): 7.17
ACD/KOC (pH 7.4): 23.24
Polar Surface Area: 60 Å2
Surface Tension:
Molar Volume:

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