ChemSpider 2D Image | 3-[(11Z)-11-Octadecenoyloxy]-2-[(9Z)-9-octadecenoyloxy]propyl (11Z)-11-icosenoate | C59H108O6

3-[(11Z)-11-Octadecenoyloxy]-2-[(9Z)-9-octadecenoyloxy]propyl (11Z)-11-icosenoate

  • Molecular FormulaC59H108O6
  • Average mass913.485 Da
  • Monoisotopic mass912.814575 Da
  • ChemSpider ID59658348

  • 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

(11Z)-11-Icosénoate de 3-[(11Z)-11-octadecenoyloxy]-2-[(9Z)-9-octadecenoyloxy]propyle [French] [ACD/IUPAC Name]
11-Eicosenoic acid, 3-[[(11Z)-1-oxo-11-octadecen-1-yl]oxy]-2-[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]propyl ester, (11Z)- [ACD/Index Name]
3-[(11Z)-11-Octadecenoyloxy]-2-[(9Z)-9-octadecenoyloxy]propyl (11Z)-11-icosenoate [ACD/IUPAC Name]
3-[(11Z)-11-Octadecenoyloxy]-2-[(9Z)-9-octadecenoyloxy]propyl-(11Z)-11-icosenoat [German] [ACD/IUPAC Name]
(2S)-3-[(11Z)-octadec-11-enoyloxy]-2-[(9Z)-octadec-9-enoyloxy]propyl (11Z)-icos-11-enoate
1-(11Z-Octadecenoyl)-2-(9Z-octadecenoyl)-3-(11-eicosenoyl)-glycerol
1-Vaccenoyl-2-oleoyl-3-eicosenoyl-glycerol
TAG(18:1/18:1/20:1)
TAG(56:3)
TG(18:1(11Z)/18:1(9Z)/20:1(11Z))
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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: 833.1±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 121.1±3.0 kJ/mol
Flash Point: 305.7±26.0 °C
Index of Refraction: 1.477
Molar Refractivity: 280.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 55
#Rule of 5 Violations: 2
ACD/LogP: 24.77
ACD/LogD (pH 5.5): 22.60
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 22.60
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: 34.7±3.0 dyne/cm
Molar Volume: 994.1±3.0 cm3

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