ChemSpider 2D Image | (4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-Docosahexaenoate | C22H31O2

(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-Docosahexaenoate

  • Molecular FormulaC22H31O2
  • Average mass327.481 Da
  • Monoisotopic mass327.232941 Da
  • ChemSpider ID30786127

  • 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)-4,7,10,13,16,19-Docosahexaenoat [German] [ACD/IUPAC Name]
(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-Docosahexaenoate [ACD/IUPAC Name]
(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-Docosahexaénoate [French] [ACD/IUPAC Name]
4,7,10,13,16,19-Docosahexaenoic acid, ion(1-), (4Z,7Z,10Z,13Z,16Z,19Z)- [ACD/Index Name]
(4Z,7Z,10Z,13Z,16Z,19Z)-DHA(1-)
(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexa-4,7,10,13,16,19-enoate
(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate
all-cis-docosa-4,7,10,13,16,19-hexaenoate
C22:6(ω-3) (1-)
More...
  • Miscellaneous

    • Chemical Class:

      A polyunsaturated fatty acid anion that is the conjugate base of (4Z,7Z,10Z,13Z,16Z,19Z)-docosahex; aenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:77016
      A polyunsaturated fatty acid anion that is the conjugate base of (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:77016

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

Density:
Boiling Point: 446.7±24.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 77.3±6.0 kJ/mol
Flash Point: 343.4±18.0 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 6.78
ACD/LogD (pH 5.5): 5.20
ACD/BCF (pH 5.5): 3070.59
ACD/KOC (pH 5.5): 5789.98
ACD/LogD (pH 7.4): 3.39
ACD/BCF (pH 7.4): 48.25
ACD/KOC (pH 7.4): 90.98
Polar Surface Area: 40 Å2
Polarizability:
Surface Tension:
Molar Volume:

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