ChemSpider 2D Image | 1-(Dodecanoyloxy)-3-(palmitoyloxy)-2-propanyl stearate | C49H94O6

1-(Dodecanoyloxy)-3-(palmitoyloxy)-2-propanyl stearate

  • Molecular FormulaC49H94O6
  • Average mass779.267 Da
  • Monoisotopic mass778.705017 Da
  • ChemSpider ID330483

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-(Dodecanoyloxy)-3-(palmitoyloxy)-2-propanyl stearate [ACD/IUPAC Name]
1-(Dodecanoyloxy)-3-(palmitoyloxy)-2-propanylstearat [German] [ACD/IUPAC Name]
Octadecanoic acid, 2-[(1-oxododecyl)oxy]-1-[[(1-oxohexadecyl)oxy]methyl]ethyl ester [ACD/Index Name]
Stéarate de 1-(dodecanoyloxy)-3-(palmitoyloxy)-2-propanyle [French] [ACD/IUPAC Name]
(2R)-1-(dodecanoyloxy)-3-(hexadecanoyloxy)propan-2-yl octadecanoate
2-(Dodecanoyloxy)-1-((palmitoyloxy)methyl)ethyl stearate
TG(16:0/18:0/12:0)

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

AIDS139179 [DBID]
AIDS-139179 [DBID]
NCI60_016526 [DBID]
NSC647562 [DBID]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 741.4±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.1±3.0 kJ/mol
Flash Point: 281.2±23.8 °C
Index of Refraction: 1.465
Molar Refractivity: 234.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 48
#Rule of 5 Violations: 2
ACD/LogP: 21.02
ACD/LogD (pH 5.5): 20.16
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 20.16
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 92.9±0.5 10-24cm3
Surface Tension: 34.3±3.0 dyne/cm
Molar Volume: 848.2±3.0 cm3

Click to predict properties on the Chemicalize site


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