ChemSpider 2D Image | 3-[(19-Methylicosanoyl)oxy]-2-[(12-methyltetradecanoyl)oxy]propyl 18-methylicosanoate | C60H116O6

3-[(19-Methylicosanoyl)oxy]-2-[(12-methyltetradecanoyl)oxy]propyl 18-methylicosanoate

  • Molecular FormulaC60H116O6
  • Average mass933.559 Da
  • Monoisotopic mass932.877197 Da
  • ChemSpider ID59666471

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

18-Méthylicosanoate de 3-[(19-méthylicosanoyl)oxy]-2-[(12-méthyltetradecanoyl)oxy]propyle [French] [ACD/IUPAC Name]
3-[(19-Methylicosanoyl)oxy]-2-[(12-methyltetradecanoyl)oxy]propyl 18-methylicosanoate [ACD/IUPAC Name]
3-[(19-Methylicosanoyl)oxy]-2-[(12-methyltetradecanoyl)oxy]propyl-18-methylicosanoat [German] [ACD/IUPAC Name]
Eicosanoic acid, 18-methyl-, 3-[(19-methyl-1-oxoeicosyl)oxy]-2-[(12-methyl-1-oxotetradecyl)oxy]propyl ester [ACD/Index Name]
(2S)-3-[(19-methylicosanoyl)oxy]-2-[(12-methyltetradecanoyl)oxy]propyl 18-methylicosanoate
TG(i-21:0/a-15:0/a-21:0)[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: 832.0±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 120.9±3.0 kJ/mol
Flash Point: 302.8±25.2 °C
Index of Refraction: 1.465
Molar Refractivity: 285.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 56
#Rule of 5 Violations: 2
ACD/LogP: 26.31
ACD/LogD (pH 5.5): 23.01
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 23.01
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: 33.7±3.0 dyne/cm
Molar Volume: 1030.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement