ChemSpider 2D Image | 3-(Docosanoyloxy)-2-(icosanoyloxy)propyl tetracosanoate | C69H134O6

3-(Docosanoyloxy)-2-(icosanoyloxy)propyl tetracosanoate

  • Molecular FormulaC69H134O6
  • Average mass1059.799 Da
  • Monoisotopic mass1059.018066 Da
  • ChemSpider ID59655653

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-(Docosanoyloxy)-2-(icosanoyloxy)propyl tetracosanoate [ACD/IUPAC Name]
3-(Docosanoyloxy)-2-(icosanoyloxy)propyl-tetracosanoat [German] [ACD/IUPAC Name]
Tétracosanoate de 3-(docosanoyloxy)-2-(icosanoyloxy)propyle [French] [ACD/IUPAC Name]
Tetracosanoic acid, 3-[(1-oxodocosyl)oxy]-2-[(1-oxoeicosyl)oxy]propyl ester [ACD/Index Name]
(2S)-3-(docosanoyloxy)-2-(icosanoyloxy)propyl tetracosanoate
1-Behenoyl-2-arachidonyl-3-lignoceroyl-glycerol
1-Docosanoyl-2-eicosanoyl-3-tetracosanoyl-glycerol
TAG(22:0/20:0/24:0)
TAG(66:0)
TG(22:0/20:0/24:0)
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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: 911.8±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.6±3.0 kJ/mol
Flash Point: 321.6±25.2 °C
Index of Refraction: 1.467
Molar Refractivity: 327.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 68
#Rule of 5 Violations: 2
ACD/LogP: 31.64
ACD/LogD (pH 5.5): 29.73
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 29.73
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 129.6±0.5 10-24cm3
Surface Tension: 34.2±3.0 dyne/cm
Molar Volume: 1178.3±3.0 cm3

Click to predict properties on the Chemicalize site


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