ChemSpider 2D Image | 9(S)-HODE-d4 | C18H28D4O3

9(S)-HODE-d4

  • Molecular FormulaC18H28D4O3
  • Average mass300.470 Da
  • Monoisotopic mass300.260254 Da
  • ChemSpider ID17220721

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(9S,10E,12Z)-9-Hydroxy(9,10,12,13-2H4)-10,12-octadecadienoic acid [ACD/IUPAC Name]
(9S,10E,12Z)-9-Hydroxy(9,10,12,13-2H4)-10,12-octadecadiensäure [German] [ACD/IUPAC Name]
10,12-Octadecadienoic-9,10,12,13-d4 acid, 9-hydroxy-, (9S,10E,12Z)- [ACD/Index Name]
890955-25-6 [RN]
9(S)-HODE-d4
Acide (9S,10E,12Z)-9-hydroxy(9,10,12,13-2H4)-10,12-octadécadiénoïque [French] [ACD/IUPAC Name]
(9S,10E,12Z)-9,10,12,13-Tetradeuterio-9-hydroxyoctadeca-10,12-dienoic acid
9S-HODE-d4
9S-hydroxy-10E,12Z-octadecadienoic acid-d4
9S-hydroxy-10E,12Z-octadecadienoic-9,10,12,13-d4 acid

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

Density: 1.0±0.1 g/cm3
Boiling Point: 416.1±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 77.3±6.0 kJ/mol
Flash Point: 219.6±21.9 °C
Index of Refraction: 1.492
Molar Refractivity: 88.6±0.3 cm3
#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): 4.47
ACD/BCF (pH 5.5): 937.91
ACD/KOC (pH 5.5): 2767.75
ACD/LogD (pH 7.4): 2.67
ACD/BCF (pH 7.4): 15.04
ACD/KOC (pH 7.4): 44.38
Polar Surface Area: 58 Å2
Polarizability: 35.1±0.5 10-24cm3
Surface Tension: 38.1±3.0 dyne/cm
Molar Volume: 305.4±3.0 cm3

Click to predict properties on the Chemicalize site


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