ChemSpider 2D Image | 13(S)-HODE-d4 | C18H28D4O3

13(S)-HODE-d4

  • Molecular FormulaC18H28D4O3
  • Average mass300.470 Da
  • Monoisotopic mass300.260254 Da
  • ChemSpider ID24822041

  • 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

(9Z,11E,13S)-13-Hydroxy(9,10,12,13-2H4)-9,11-octadecadienoic acid [ACD/IUPAC Name]
(9Z,11E,13S)-13-Hydroxy(9,10,12,13-2H4)-9,11-octadecadiensäure [German] [ACD/IUPAC Name]
13(S)-HODE-d4
139408-39-2 [RN]
9,11-Octadecadienoic-9,10,12,13-d4 acid, 13-hydroxy-, (9Z,11E,13S)- [ACD/Index Name]
Acide (9Z,11E,13S)-13-hydroxy(9,10,12,13-2H4)-9,11-octadécadiénoïque [French] [ACD/IUPAC Name]
(9Z,11E,13S)-9,10,12,13-tetradeuterio-13-hydroxyoctadeca-9,11-dienoic acid
13S-HODE-(d4)
13S-hydroxy-9Z,11E-octadecadienoic acid-(d4)
13S-hydroxy-9Z,11E-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: 422.7±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 78.2±6.0 kJ/mol
Flash Point: 223.6±18.3 °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): 4.46
ACD/BCF (pH 5.5): 923.84
ACD/KOC (pH 5.5): 2737.92
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 14.81
ACD/KOC (pH 7.4): 43.90
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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