ChemSpider 2D Image | 4-HDoHE | C22H32O3


  • Molecular FormulaC22H32O3
  • Average mass344.488 Da
  • Monoisotopic mass344.235138 Da
  • ChemSpider ID23246766
  • Double-bond stereo - Double-bond stereo

More details:

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

(5E,7Z,10Z,13Z,16Z,19Z)-4-Hydroxy-5,7,10,13,16,19-docosahexaenoic acid [ACD/IUPAC Name]
(5E,7Z,10Z,13Z,16Z,19Z)-4-Hydroxy-5,7,10,13,16,19-docosahexaensäure [German] [ACD/IUPAC Name]
(5E,7Z,10Z,13Z,16Z,19Z)-4-hydroxydocosa-5,7,10,13,16,19-hexaenoic acid
5,7,10,13,16,19-Docosahexaenoic acid, 4-hydroxy-, (5E,7Z,10Z,13Z,16Z,19Z)- [ACD/Index Name]
Acide (5E,7Z,10Z,13Z,16Z,19Z)-4-hydroxy-5,7,10,13,16,19-docosahexaénoïque [French] [ACD/IUPAC Name]
  • Miscellaneous
    • Chemical Class:

      A hydroxydocosahexaenoic acid that consists of 5<stereo>E</stereo>,7<stereo>Z</stereo>,10<stereo>Z</stereo>,13<stereo>Z</stereo>,16<stereo>Z</stereo>,19<stereo>Z</stereo>-docosahexaenoic acid bearing an additional 4-hydroxy substituent. ChEBI CHEBI:72624
      A hydroxydocosahexaenoic acid that consists of 5E,7Z,10Z,13Z,16Z,19Z-docosahexaenoic acid bearing ; an additional 4-hydroxy substituent. ChEBI

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

Density: 1.0±0.1 g/cm3
Boiling Point: 502.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.8±6.0 kJ/mol
Flash Point: 271.7±26.6 °C
Index of Refraction: 1.533
Molar Refractivity: 107.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 5.45
ACD/LogD (pH 5.5): 4.14
ACD/BCF (pH 5.5): 473.81
ACD/KOC (pH 5.5): 1486.30
ACD/LogD (pH 7.4): 2.34
ACD/BCF (pH 7.4): 7.45
ACD/KOC (pH 7.4): 23.36
Polar Surface Area: 58 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 39.4±3.0 dyne/cm
Molar Volume: 345.9±3.0 cm3

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