ChemSpider 2D Image | 2-(Pentadecanoyloxy)-3-(tetradecanoyloxy)propyl docosanoate | C54H104O6

2-(Pentadecanoyloxy)-3-(tetradecanoyloxy)propyl docosanoate

  • Molecular FormulaC54H104O6
  • Average mass849.400 Da
  • Monoisotopic mass848.783264 Da
  • ChemSpider ID59651661

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-(Pentadecanoyloxy)-3-(tetradecanoyloxy)propyl docosanoate [ACD/IUPAC Name]
2-(Pentadecanoyloxy)-3-(tetradecanoyloxy)propyl-docosanoat [German] [ACD/IUPAC Name]
Docosanoate de 2-(pentadecanoyloxy)-3-(tetradecanoyloxy)propyle [French] [ACD/IUPAC Name]
Docosanoic acid, 2-[(1-oxopentadecyl)oxy]-3-[(1-oxotetradecyl)oxy]propyl ester [ACD/Index Name]
(2S)-2-(pentadecanoyloxy)-3-(tetradecanoyloxy)propyl docosanoate
1-Myristoyl-2-pentadecanoyl-3-behenoyl-glycerol
1-Tetradecanoyl-2-pentadecanoyl-3-docosanoyl-glycerol
TAG(14:0/15:0/22:0)
TAG(51:0)
TG(14:0/15:0/22:0)
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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: 786.8±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.5±3.0 kJ/mol
Flash Point: 292.9±23.8 °C
Index of Refraction: 1.465
Molar Refractivity: 257.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 53
#Rule of 5 Violations: 2
ACD/LogP: 23.67
ACD/LogD (pH 5.5): 22.52
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 22.52
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 102.1±0.5 10-24cm3
Surface Tension: 34.3±3.0 dyne/cm
Molar Volume: 930.7±3.0 cm3

Click to predict properties on the Chemicalize site


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