ChemSpider 2D Image | 3-(Dodecanoyloxy)-2-(icosanoyloxy)propyl docosanoate | C57H110O6

3-(Dodecanoyloxy)-2-(icosanoyloxy)propyl docosanoate

  • Molecular FormulaC57H110O6
  • Average mass891.480 Da
  • Monoisotopic mass890.830261 Da
  • ChemSpider ID59669952

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-(Dodecanoyloxy)-2-(icosanoyloxy)propyl docosanoate [ACD/IUPAC Name]
3-(Dodecanoyloxy)-2-(icosanoyloxy)propyl-docosanoat [German] [ACD/IUPAC Name]
Docosanoate de 3-(dodecanoyloxy)-2-(icosanoyloxy)propyle [French] [ACD/IUPAC Name]
Docosanoic acid, 3-[(1-oxododecyl)oxy]-2-[(1-oxoeicosyl)oxy]propyl ester [ACD/Index Name]
(2R)-3-(dodecanoyloxy)-2-(icosanoyloxy)propyl docosanoate
1-dodecanoyl-2-eicosanoyl-3-docosanoyl-sn-glycerol
TG(12:0/20:0/22:0)[iso6]
TG(12:020:022:0)
TG(22:0/20:0/12:0)
TG(54:0)

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: 813.0±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.2±3.0 kJ/mol
Flash Point: 299.4±25.2 °C
Index of Refraction: 1.466
Molar Refractivity: 271.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 56
#Rule of 5 Violations: 2
ACD/LogP: 25.27
ACD/LogD (pH 5.5): 23.89
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 23.89
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 107.6±0.5 10-24cm3
Surface Tension: 34.3±3.0 dyne/cm
Molar Volume: 980.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement