ChemSpider 2D Image | 3-(Palmitoyloxy)-2-(tetradecanoyloxy)propyl stearate | C51H98O6

3-(Palmitoyloxy)-2-(tetradecanoyloxy)propyl stearate

  • Molecular FormulaC51H98O6
  • Average mass807.320 Da
  • Monoisotopic mass806.736328 Da
  • ChemSpider ID24768190

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-(Palmitoyloxy)-2-(tetradecanoyloxy)propyl stearate [ACD/IUPAC Name]
3-(Palmitoyloxy)-2-(tetradecanoyloxy)propylstearat [German] [ACD/IUPAC Name]
Octadecanoic acid, 3-[(1-oxohexadecyl)oxy]-2-[(1-oxotetradecyl)oxy]propyl ester [ACD/Index Name]
Stéarate de 3-(palmitoyloxy)-2-(tetradecanoyloxy)propyle [French] [ACD/IUPAC Name]
(2R)-3-(hexadecanoyloxy)-2-(tetradecanoyloxy)propyl octadecanoate
1-Palmitoyl-2-myristoyl-3-stearoyl-glycerol
TAG(16:0/14:0/18:0)
TAG(48:0)
TG(16:0/14:0/18:0)
TG(16:0/14:0/18:0)[iso6]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.9±0.1 g/cm3
Boiling Point: 759.8±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.7±3.0 kJ/mol
Flash Point: 286.1±23.8 °C
Index of Refraction: 1.465
Molar Refractivity: 243.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 50
#Rule of 5 Violations: 2
ACD/LogP: 22.08
ACD/LogD (pH 5.5): 21.07
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 21.07
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 96.6±0.5 10-24cm3
Surface Tension: 34.3±3.0 dyne/cm
Molar Volume: 881.2±3.0 cm3

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