ChemSpider 2D Image | 3-(Dodecanoyloxy)-2-[(9Z)-9-tetradecenoyloxy]propyl stearate | C47H88O6

3-(Dodecanoyloxy)-2-[(9Z)-9-tetradecenoyloxy]propyl stearate

  • Molecular FormulaC47H88O6
  • Average mass749.198 Da
  • Monoisotopic mass748.658081 Da
  • ChemSpider ID75319990

  • 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

3-(Dodecanoyloxy)-2-[(9Z)-9-tetradecenoyloxy]propyl stearate [ACD/IUPAC Name]
3-(Dodecanoyloxy)-2-[(9Z)-9-tetradecenoyloxy]propylstearat [German] [ACD/IUPAC Name]
Octadecanoic acid, 3-[(1-oxododecyl)oxy]-2-[[(9Z)-1-oxo-9-tetradecen-1-yl]oxy]propyl ester [ACD/Index Name]
Stéarate de 3-(dodecanoyloxy)-2-[(9Z)-9-tetradecenoyloxy]propyle [French] [ACD/IUPAC Name]
(2R)-3-(dodecanoyloxy)-2-[(9Z)-tetradec-9-enoyloxy]propyl octadecanoate
1-dodecanoyl-2-(9Z-tetradecenoyl)-3-octadecanoyl-sn-glycerol
TG(12:0/14:1(9Z)/18:0)[iso6]
TG(12:014:118:0)
TG(44:1)

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

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

Density: 0.9±0.1 g/cm3
Boiling Point: 727.7±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.2±3.0 kJ/mol
Flash Point: 278.6±24.6 °C
Index of Refraction: 1.469
Molar Refractivity: 225.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 45
#Rule of 5 Violations: 2
ACD/LogP: 19.43
ACD/LogD (pH 5.5): 18.00
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 18.00
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 89.3±0.5 10-24cm3
Surface Tension: 34.5±3.0 dyne/cm
Molar Volume: 808.8±3.0 cm3

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