ChemSpider 2D Image | 2-[(9Z)-9-Octadecenoyloxy]-3-(stearoyloxy)propyl icosanoate | C59H112O6

2-[(9Z)-9-Octadecenoyloxy]-3-(stearoyloxy)propyl icosanoate

  • Molecular FormulaC59H112O6
  • Average mass917.517 Da
  • Monoisotopic mass916.845886 Da
  • ChemSpider ID66000365

  • Double-bond stereo - Double-bond stereo

More details:

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

2-[(9Z)-9-Octadecenoyloxy]-3-(stearoyloxy)propyl icosanoate [ACD/IUPAC Name]
2-[(9Z)-9-Octadecenoyloxy]-3-(stearoyloxy)propyl-icosanoat [German] [ACD/IUPAC Name]
2-[[(9Z)-1-Oxo-9-octadecen-1-yl]oxy]-3-[(1-oxooctadecyl)oxy]propyl eicosanoate
67877-82-1 [RN]
Eicosanoic acid, 2-[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]-3-[(1-oxooctadecyl)oxy]propyl ester [ACD/Index Name]
Icosanoate de 2-[(9Z)-9-octadecenoyloxy]-3-(stearoyloxy)propyle [French] [ACD/IUPAC Name]
1-arachidoyl-3-stearoyl-2-oleoyl glycerol

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

Density: 0.9±0.1 g/cm3
Boiling Point: 834.6±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 121.3±3.0 kJ/mol
Flash Point: 305.5±26.0 °C
Index of Refraction: 1.470
Molar Refractivity: 280.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 57
#Rule of 5 Violations: 2
ACD/LogP: 25.81
ACD/LogD (pH 5.5): 24.33
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 24.33
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 111.3±0.5 10-24cm3
Surface Tension: 34.4±3.0 dyne/cm
Molar Volume: 1006.9±3.0 cm3

Click to predict properties on the Chemicalize site


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