ChemSpider 2D Image | 3-(Palmitoyloxy)-2-(stearoyloxy)propyl (11Z,14Z)-11,14-icosadienoate | C57H106O6

3-(Palmitoyloxy)-2-(stearoyloxy)propyl (11Z,14Z)-11,14-icosadienoate

  • Molecular FormulaC57H106O6
  • Average mass887.448 Da
  • Monoisotopic mass886.798950 Da
  • ChemSpider ID7823153

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(11Z,14Z)-11,14-Icosadiénoate de 3-(palmitoyloxy)-2-(stearoyloxy)propyle [French] [ACD/IUPAC Name]
11,14-Eicosadienoic acid, 3-[(1-oxohexadecyl)oxy]-2-[(1-oxooctadecyl)oxy]propyl ester, (11Z,14Z)- [ACD/Index Name]
3-(Palmitoyloxy)-2-(stearoyloxy)propyl (11Z,14Z)-11,14-icosadienoate [ACD/IUPAC Name]
3-(Palmitoyloxy)-2-(stearoyloxy)propyl-(11Z,14Z)-11,14-icosadienoat [German] [ACD/IUPAC Name]
(2R)-3-(hexadecanoyloxy)-2-(octadecanoyloxy)propyl (11Z,14Z)-icosa-11,14-dienoate
1-hexadecanoyl-2-octadecanoyl-3-(11Z,14Z-eicosadienoyl)-sn-glycerol
TG(16:0/18:0/20:2(11Z,14Z))[iso6]
TG(16:0/18:0/20:2)[iso6]
TG(16:018:020:2)
TG(54:2)

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

LMGL03010238 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.9±0.1 g/cm3
Boiling Point: 813.7±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.3±3.0 kJ/mol
Flash Point: 300.4±26.0 °C
Index of Refraction: 1.473
Molar Refractivity: 271.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 54
#Rule of 5 Violations: 2
ACD/LogP: 24.23
ACD/LogD (pH 5.5): 22.58
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 22.58
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 107.6±0.5 10-24cm3
Surface Tension: 34.6±3.0 dyne/cm
Molar Volume: 967.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement