ChemSpider 2D Image | 2-[(14-Methylhexadecanoyl)oxy]-3-[(22-methyltricosanoyl)oxy]propyl 22-methyltetracosanoate | C69H134O6

2-[(14-Methylhexadecanoyl)oxy]-3-[(22-methyltricosanoyl)oxy]propyl 22-methyltetracosanoate

  • Molecular FormulaC69H134O6
  • Average mass1059.799 Da
  • Monoisotopic mass1059.018066 Da
  • ChemSpider ID59671547

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

2-[(14-Methylhexadecanoyl)oxy]-3-[(22-methyltricosanoyl)oxy]propyl 22-methyltetracosanoate [ACD/IUPAC Name]
2-[(14-Methylhexadecanoyl)oxy]-3-[(22-methyltricosanoyl)oxy]propyl-22-methyltetracosanoat [German] [ACD/IUPAC Name]
22-Méthyltétracosanoate de 2-[(14-méthylhexadecanoyl)oxy]-3-[(22-méthyltricosanoyl)oxy]propyle [French] [ACD/IUPAC Name]
Tetracosanoic acid, 22-methyl-, 2-[(14-methyl-1-oxohexadecyl)oxy]-3-[(22-methyl-1-oxotricosyl)oxy]propyl ester [ACD/Index Name]
(2R)-2-[(14-methylhexadecanoyl)oxy]-3-[(22-methyltricosanoyl)oxy]propyl 22-methyltetracosanoate
TG(a-25:0/a-17:0/i-24:0)[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: 905.6±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.7±3.0 kJ/mol
Flash Point: 319.3±25.2 °C
Index of Refraction: 1.466
Molar Refractivity: 326.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 65
#Rule of 5 Violations: 2
ACD/LogP: 31.09
ACD/LogD (pH 5.5): 27.62
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 27.62
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: 33.7±3.0 dyne/cm
Molar Volume: 1179.5±3.0 cm3

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