ChemSpider 2D Image | 3-(Docosanoyloxy)-2-(icosanoyloxy)propyl 22-methyltricosanoate | C69H134O6

3-(Docosanoyloxy)-2-(icosanoyloxy)propyl 22-methyltricosanoate

  • Molecular FormulaC69H134O6
  • Average mass1059.799 Da
  • Monoisotopic mass1059.018066 Da
  • ChemSpider ID59670485

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

22-Méthyltricosanoate de 3-(docosanoyloxy)-2-(icosanoyloxy)propyle [French] [ACD/IUPAC Name]
3-(Docosanoyloxy)-2-(icosanoyloxy)propyl 22-methyltricosanoate [ACD/IUPAC Name]
3-(Docosanoyloxy)-2-(icosanoyloxy)propyl-22-methyltricosanoat [German] [ACD/IUPAC Name]
Tricosanoic acid, 22-methyl-, 3-[(1-oxodocosyl)oxy]-2-[(1-oxoeicosyl)oxy]propyl ester [ACD/Index Name]
(2S)-3-(docosanoyloxy)-2-(icosanoyloxy)propyl 22-methyltricosanoate
TG(22:0/20:0/i-24:0)

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: 909.7±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.3±3.0 kJ/mol
Flash Point: 320.8±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: 67
#Rule of 5 Violations: 2
ACD/LogP: 31.46
ACD/LogD (pH 5.5): 29.04
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 29.04
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: 34.0±3.0 dyne/cm
Molar Volume: 1178.7±3.0 cm3

Click to predict properties on the Chemicalize site


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