ChemSpider 2D Image | 1-[(9Z)-9-Octadecenoyloxy]-3-(palmitoyloxy)-2-propanyl icosanoate | C57H108O6

1-[(9Z)-9-Octadecenoyloxy]-3-(palmitoyloxy)-2-propanyl icosanoate

  • Molecular FormulaC57H108O6
  • Average mass889.464 Da
  • Monoisotopic mass888.814575 Da
  • ChemSpider ID26666413

  • Double-bond stereo - Double-bond stereo

More details:

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

1-[(9Z)-9-Octadecenoyloxy]-3-(palmitoyloxy)-2-propanyl icosanoate [ACD/IUPAC Name]
1-[(9Z)-9-Octadecenoyloxy]-3-(palmitoyloxy)-2-propanyl-icosanoat [German] [ACD/IUPAC Name]
669762-61-2 [RN]
Eicosanoic acid, 2-[(1-oxohexadecyl)oxy]-1-[[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]methyl]ethyl ester [ACD/Index Name]
Icosanoate de 1-[(9Z)-9-octadecenoyloxy]-3-(palmitoyloxy)-2-propanyle [French] [ACD/IUPAC Name]
1-(hexadecanoyloxy)-3-[(9Z)-octadec-9-enoyloxy]propan-2-yl icosanoate
1-Hexadecanoyl-2-eicosanoyl-3-(9Z-octadecenoyl)-glycerol
1-Palmitoyl-2-arachidonyl-3-oleoyl-glycerol
1-Palmitoyl-2-Arachidoyl-3-Oleoyl-glycerol
eicosanoic acid, 1-[[(1-oxohexadecyl)oxy]methyl]-2-[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]ethyl ester
More...

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

Density: 0.9±0.1 g/cm3
Boiling Point: 817.6±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.8±3.0 kJ/mol
Flash Point: 301.5±26.0 °C
Index of Refraction: 1.470
Molar Refractivity: 271.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 55
#Rule of 5 Violations: 2
ACD/LogP: 24.75
ACD/LogD (pH 5.5): 23.40
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 23.40
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: 34.4±3.0 dyne/cm
Molar Volume: 973.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement