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Search term: 59674040 (Found by CSID)
ChemSpider 2D Image | 3-(Decanoyloxy)-2-(palmitoyloxy)propyl 16-methylheptadecanoate | C47H90O6

3-(Decanoyloxy)-2-(palmitoyloxy)propyl 16-methylheptadecanoate

  • Molecular FormulaC47H90O6
  • Average mass751.214 Da
  • Monoisotopic mass750.673767 Da
  • ChemSpider ID59674040

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

16-Méthylheptadécanoate de 3-(decanoyloxy)-2-(palmitoyloxy)propyle [French] [ACD/IUPAC Name]
3-(Decanoyloxy)-2-(palmitoyloxy)propyl 16-methylheptadecanoate [ACD/IUPAC Name]
3-(Decanoyloxy)-2-(palmitoyloxy)propyl-16-methylheptadecanoat [German] [ACD/IUPAC Name]
Heptadecanoic acid, 16-methyl-, 3-[(1-oxodecyl)oxy]-2-[(1-oxohexadecyl)oxy]propyl ester [ACD/Index Name]
(2S)-3-(decanoyloxy)-2-(hexadecanoyloxy)propyl 16-methylheptadecanoate
TG(10:0/16:0/i-18:0)

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: 720.1±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.2±3.0 kJ/mol
Flash Point: 275.2±23.8 °C
Index of Refraction: 1.464
Molar Refractivity: 225.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 45
#Rule of 5 Violations: 2
ACD/LogP: 19.77
ACD/LogD (pH 5.5): 18.24
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 18.24
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 89.2±0.5 10-24cm3
Surface Tension: 34.1±3.0 dyne/cm
Molar Volume: 815.6±3.0 cm3

Click to predict properties on the Chemicalize site


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