ChemSpider 2D Image | 14(S)-HDHA | C22H32O3

14(S)-HDHA

  • Molecular FormulaC22H32O3
  • Average mass344.488 Da
  • Monoisotopic mass344.235138 Da
  • ChemSpider ID30646760

  • 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-docosahexaenoic acid [ACD/IUPAC Name]
(4Z,7Z,10Z,12E,14S,16Z,19Z)-14-Hydroxy-4,7,10,12,16,19-docosahexaensäure [German] [ACD/IUPAC Name]
119433-37-3 [RN]
14(S)-HDHA
4,7,10,12,16,19-Docosahexaenoic acid, 14-hydroxy-, (4Z,7Z,10Z,12E,14S,16Z,19Z)- [ACD/Index Name]
Acide (4Z,7Z,10Z,12E,14S,16Z,19Z)-14-hydroxy-4,7,10,12,16,19-docosahexaénoïque [French] [ACD/IUPAC Name]
(14S)-HDHA
(14S)-HDoHE
(14S)-hydroxy-(4Z,7Z,10Z,12E,16Z,19Z)-docosahexaenoic acid
(4Z,7Z,10Z,12E,14S,16Z,19Z)-14-hydroxydocosa-4,7,10,12,16,19-hexaenoic acid
More...

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

Density: 1.0±0.1 g/cm3
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: 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: 5.48
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: 58 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 39.4±3.0 dyne/cm
Molar Volume: 345.9±3.0 cm3

Click to predict properties on the Chemicalize site


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