ChemSpider 2D Image | (4Z,7Z,10Z,12E,14S,16Z,19Z)-14-Hydroxy-4,7,10,12,16,19-docosahexaenoate | C22H31O3

(4Z,7Z,10Z,12E,14S,16Z,19Z)-14-Hydroxy-4,7,10,12,16,19-docosahexaenoate

  • Molecular FormulaC22H31O3
  • Average mass343.480 Da
  • Monoisotopic mass343.227875 Da
  • ChemSpider ID76962865

  • 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,12E,14S,16Z,19Z)-14-Hydroxy-4,7,10,12,16,19-docosahexaenoat [German] [ACD/IUPAC Name]
(4Z,7Z,10Z,12E,14S,16Z,19Z)-14-Hydroxy-4,7,10,12,16,19-docosahexaenoate [ACD/IUPAC Name]
(4Z,7Z,10Z,12E,14S,16Z,19Z)-14-Hydroxy-4,7,10,12,16,19-docosahexaénoate [French] [ACD/IUPAC Name]
4,7,10,12,16,19-Docosahexaenoic acid, 14-hydroxy-, ion(1-), (4Z,7Z,10Z,12E,14S,16Z,19Z)- [ACD/Index Name]
(14S)-HDHA(1-)
(14S)-HDoHE(1-)
(14S)-hydroxy-(4Z,7Z,10Z,12E,16Z,19Z)-docosahexaenoate
(4Z,7Z,10Z,12E,14S,16Z,19Z)-14-hydroxydocosa-4,7,10,12,16,19-hexaenoate
(4Z,7Z,10Z,12E,14S,16Z,19Z)-14-hydroxydocosahexaenoate
14(S)-HDoHE(1-)

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

Density:
Boiling Point: 510.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 89.9±6.0 kJ/mol
Flash Point: 276.3±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: 5.48
ACD/LogD (pH 5.5): 4.19
ACD/BCF (pH 5.5): 528.16
ACD/KOC (pH 5.5): 1641.47
ACD/LogD (pH 7.4): 2.39
ACD/BCF (pH 7.4): 8.30
ACD/KOC (pH 7.4): 25.79
Polar Surface Area: 60 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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