ChemSpider 2D Image | 3-[(9Z)-9-Octadecenoyloxy]-2-(stearoyloxy)propyl docosanoate | C61H116O6

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

  • Molecular FormulaC61H116O6
  • Average mass945.570 Da
  • Monoisotopic mass944.877197 Da
  • ChemSpider ID59655633

  • 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

3-[(9Z)-9-Octadecenoyloxy]-2-(stearoyloxy)propyl docosanoate [ACD/IUPAC Name]
3-[(9Z)-9-Octadecenoyloxy]-2-(stearoyloxy)propyl-docosanoat [German] [ACD/IUPAC Name]
Docosanoate de 3-[(9Z)-9-octadecenoyloxy]-2-(stearoyloxy)propyle [French] [ACD/IUPAC Name]
Docosanoic acid, 3-[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]-2-[(1-oxooctadecyl)oxy]propyl ester [ACD/Index Name]
(2S)-3-[(9Z)-octadec-9-enoyloxy]-2-(octadecanoyloxy)propyl docosanoate
1-Behenoyl-2-stearoyl-3-oleoyl-glycerol
1-Docosanoyl-2-octadecanoyl-3-(9Z-octadecenoyl)-glycerol
TAG(22:0/18:0/18:1)
TAG(58:1)
TG(22:0/18:0/18:1(9Z))
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

Density: 0.9±0.1 g/cm3
Boiling Point: 851.4±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 123.7±3.0 kJ/mol
Flash Point: 309.4±26.0 °C
Index of Refraction: 1.470
Molar Refractivity: 290.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 59
#Rule of 5 Violations: 2
ACD/LogP: 26.87
ACD/LogD (pH 5.5): 25.31
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 25.31
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 115.0±0.5 10-24cm3
Surface Tension: 34.4±3.0 dyne/cm
Molar Volume: 1039.9±3.0 cm3

Click to predict properties on the Chemicalize site


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