ChemSpider 2D Image | 3-[(18-Methylicosanoyl)oxy]-2-[(12-methyltridecanoyl)oxy]propyl docosanoate | C60H116O6

3-[(18-Methylicosanoyl)oxy]-2-[(12-methyltridecanoyl)oxy]propyl docosanoate

  • Molecular FormulaC60H116O6
  • Average mass933.559 Da
  • Monoisotopic mass932.877197 Da
  • ChemSpider ID59666466

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

3-[(18-Methylicosanoyl)oxy]-2-[(12-methyltridecanoyl)oxy]propyl docosanoate [ACD/IUPAC Name]
3-[(18-Methylicosanoyl)oxy]-2-[(12-methyltridecanoyl)oxy]propyl-docosanoat [German] [ACD/IUPAC Name]
Docosanoate de 3-[(18-méthylicosanoyl)oxy]-2-[(12-méthyltridecanoyl)oxy]propyle [French] [ACD/IUPAC Name]
Docosanoic acid, 3-[(18-methyl-1-oxoeicosyl)oxy]-2-[(12-methyl-1-oxotridecyl)oxy]propyl ester [ACD/Index Name]
(2R)-3-[(18-methylicosanoyl)oxy]-2-[(12-methyltridecanoyl)oxy]propyl docosanoate
TG(a-21:0/i-14:0/22:0)[rac]

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: 834.2±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 121.2±3.0 kJ/mol
Flash Point: 303.7±25.2 °C
Index of Refraction: 1.466
Molar Refractivity: 285.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 57
#Rule of 5 Violations: 2
ACD/LogP: 26.49
ACD/LogD (pH 5.5): 23.90
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 23.90
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 113.1±0.5 10-24cm3
Surface Tension: 33.8±3.0 dyne/cm
Molar Volume: 1030.5±3.0 cm3

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