ChemSpider 2D Image | (4Z,8E,10Z,13Z,16Z,19Z)-7-Hydroxy-4,8,10,13,16,19-docosahexaenoate | C22H31O3

(4Z,8E,10Z,13Z,16Z,19Z)-7-Hydroxy-4,8,10,13,16,19-docosahexaenoate

  • Molecular FormulaC22H31O3
  • Average mass343.480 Da
  • Monoisotopic mass343.227875 Da
  • ChemSpider ID76962461

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

(4Z,8E,10Z,13Z,16Z,19Z)-7-Hydroxy-4,8,10,13,16,19-docosahexaenoat [German] [ACD/IUPAC Name]
(4Z,8E,10Z,13Z,16Z,19Z)-7-Hydroxy-4,8,10,13,16,19-docosahexaenoate [ACD/IUPAC Name]
(4Z,8E,10Z,13Z,16Z,19Z)-7-Hydroxy-4,8,10,13,16,19-docosahexaénoate [French] [ACD/IUPAC Name]
4,8,10,13,16,19-Docosahexaenoic acid, 7-hydroxy-, ion(1-), (4Z,8E,10Z,13Z,16Z,19Z)- [ACD/Index Name]
(4Z,8E,10Z,13Z,16Z,19Z)-7-hydroxydocosa-4,8,10,13,16,19-hexaenoate
7-HDHA(1-)
7-HDoHE(1-)
7-hydroxy-(4Z,8E,10Z,13Z,16Z,19Z)-docosahexaenoate
7-hydroxydocosahexaenoate
  • Miscellaneous

    • Chemical Class:

      A hydroxydocosahexaenoate that is the conjugate base of (4Z,8E,10Z,13Z,16Z,19Z)-7-hydroxydocosahex; aenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:140373
      A hydroxydocosahexaenoate that is the conjugate base of (4Z,8E,10Z,13Z,16Z,19Z)-7-hydroxydocosahexaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:140373

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

Density:
Boiling Point: 511.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.0±6.0 kJ/mol
Flash Point: 277.1±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): 4.10
ACD/BCF (pH 5.5): 448.53
ACD/KOC (pH 5.5): 1453.94
ACD/LogD (pH 7.4): 2.30
ACD/BCF (pH 7.4): 7.05
ACD/KOC (pH 7.4): 22.84
Polar Surface Area: 60 Å2
Polarizability:
Surface Tension:
Molar Volume:

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