ChemSpider 2D Image | 1-(Palmitoyloxy)-3-(stearoyloxy)-2-propanyl (9Z)-9-octadecenoate | C55H104O6

1-(Palmitoyloxy)-3-(stearoyloxy)-2-propanyl (9Z)-9-octadecenoate

  • Molecular FormulaC55H104O6
  • Average mass861.411 Da
  • Monoisotopic mass860.783264 Da
  • ChemSpider ID9541369
  • Double-bond stereo - Double-bond stereo


More details:






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

(9Z)-9-Octadécénoate de 1-(palmitoyloxy)-3-(stearoyloxy)-2-propanyle [French] [ACD/IUPAC Name]
1-(hexadecanoyloxy)-3-(octadecanoyloxy)propan-2-yl (9Z)-octadec-9-enoate
1-(Palmitoyloxy)-3-(stearoyloxy)-2-propanyl (9Z)-9-octadecenoate [ACD/IUPAC Name]
1-(Palmitoyloxy)-3-(stearoyloxy)-2-propanyl-(9Z)-9-octadecenoat [German] [ACD/IUPAC Name]
1-(Palmitoyloxy)-3-(stearoyloxy)propan-2-yl (9Z)-octadec-9-enoate
218-584-2 [EINECS]
9-Octadecenoic acid, 2-[(1-oxohexadecyl)oxy]-1-[[(1-oxooctadecyl)oxy]methyl]ethyl ester, (9Z)- [ACD/Index Name]
1-[[(1-oxohexadecyl)oxy]methyl]-2-[(1-oxooctadecyl)oxy]ethyl oleate
1-Hexadecanoyl-2-(9Z-octadecenoyl)-3-octadecanoyl-glycerol
1-Palmitoyl-2-oleoyl-3-stearoyl-glycerol
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.9±0.1 g/cm3
Boiling Point: 800.3±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.4±3.0 kJ/mol
Flash Point: 297.3±26.0 °C
Index of Refraction: 1.469
Molar Refractivity: 262.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 53
#Rule of 5 Violations: 2
ACD/LogP: 23.69
ACD/LogD (pH 5.5): 22.44
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 22.44
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 103.9±0.5 10-24cm3
Surface Tension: 34.4±3.0 dyne/cm
Molar Volume: 940.8±3.0 cm3

Click to predict properties on the Chemicalize site






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