ChemSpider 2D Image | 1-(Palmitoyloxy)-3-(stearoyloxy)-2-propanyl (9Z,12Z)-9,12-octadecadienoate | C55H102O6

1-(Palmitoyloxy)-3-(stearoyloxy)-2-propanyl (9Z,12Z)-9,12-octadecadienoate

  • Molecular FormulaC55H102O6
  • Average mass859.395 Da
  • Monoisotopic mass858.767639 Da
  • ChemSpider ID23253656

  • Double-bond stereo - Double-bond stereo

More details:

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

(9Z,12Z)-9,12-Octadécadiénoate de 1-(palmitoyloxy)-3-(stearoyloxy)-2-propanyle [French] [ACD/IUPAC Name]
1-(hexadecanoyloxy)-3-(octadecanoyloxy)propan-2-yl (9Z,12Z)-octadeca-9,12-dienoate
1-(Palmitoyloxy)-3-(stearoyloxy)-2-propanyl (9Z,12Z)-9,12-octadecadienoate [ACD/IUPAC Name]
1-(Palmitoyloxy)-3-(stearoyloxy)-2-propanyl-(9Z,12Z)-9,12-octadecadienoat [German] [ACD/IUPAC Name]
2190-12-7 [RN]
9,12-Octadecadienoic acid, 2-[(1-oxohexadecyl)oxy]-1-[[(1-oxooctadecyl)oxy]methyl]ethyl ester, (9Z,12Z)- [ACD/Index Name]
[3-Hexadecanoyloxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] octadecanoate
9Z,12Z-octadecadienoic acid, 1-[[(1-oxohexadecyl)oxy]methyl]-2-[(1-oxooctadecyl)oxy]ethyl ester
glycerol, 1-palmitoyl-2-linoleoyl-3-stearoyl-

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

Density: 0.9±0.1 g/cm3
Boiling Point: 801.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.6±3.0 kJ/mol
Flash Point: 298.2±28.8 °C
Index of Refraction: 1.473
Molar Refractivity: 262.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 52
#Rule of 5 Violations: 2
ACD/LogP: 23.17
ACD/LogD (pH 5.5): 21.68
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 21.68
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 104.0±0.5 10-24cm3
Surface Tension: 34.6±3.0 dyne/cm
Molar Volume: 934.5±3.0 cm3

Click to predict properties on the Chemicalize site


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