ChemSpider 2D Image | (9R,10R,12Z)-9,10-Dihydroxy(9,10,12,13-~2~H_4_)-12-octadecenoic acid | C18H30D4O4

(9R,10R,12Z)-9,10-Dihydroxy(9,10,12,13-2H4)-12-octadecenoic acid

  • Molecular FormulaC18H30D4O4
  • Average mass318.485 Da
  • Monoisotopic mass318.270813 Da
  • ChemSpider ID115005716

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(9R,10R,12Z)-9,10-Dihydroxy(9,10,12,13-2H4)-12-octadecenoic acid [ACD/IUPAC Name]
(9R,10R,12Z)-9,10-Dihydroxy(9,10,12,13-2H4)-12-octadecensäure [German] [ACD/IUPAC Name]
12-Octadecenoic-9,10,12,13-d4 acid, 9,10-dihydroxy-, (9R,10R,12Z)- [ACD/Index Name]
Acide (9R,10R,12Z)-9,10-dihydroxy(9,10,12,13-2H4)-12-octadécénoïque [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 491.8±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 87.4±6.0 kJ/mol
Flash Point: 265.3±22.4 °C
Index of Refraction: 1.493
Molar Refractivity: 90.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 0
ACD/LogP: 4.14
ACD/LogD (pH 5.5): 2.98
ACD/BCF (pH 5.5): 70.21
ACD/KOC (pH 5.5): 432.86
ACD/LogD (pH 7.4): 1.19
ACD/BCF (pH 7.4): 1.13
ACD/KOC (pH 7.4): 6.94
Polar Surface Area: 78 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 41.4±3.0 dyne/cm
Molar Volume: 309.7±3.0 cm3

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