ChemSpider 2D Image | 2-[(11Z)-11-Octadecenoyloxy]-1,3-propanediyl diicosanoate | C61H116O6

2-[(11Z)-11-Octadecenoyloxy]-1,3-propanediyl diicosanoate

  • Molecular FormulaC61H116O6
  • Average mass945.570 Da
  • Monoisotopic mass944.877197 Da
  • ChemSpider ID30777770

  • Double-bond stereo - Double-bond stereo

More details:

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

2-[(11Z)-11-Octadecenoyloxy]-1,3-propandiyl-diicosanoat [German] [ACD/IUPAC Name]
2-[(11Z)-11-Octadecenoyloxy]-1,3-propanediyl diicosanoate [ACD/IUPAC Name]
Diicosanoate de 2-[(11Z)-11-octadecenoyloxy]-1,3-propanediyle [French] [ACD/IUPAC Name]
Eicosanoic acid, 2-[[(11Z)-1-oxo-11-octadecen-1-yl]oxy]-1,3-propanediyl ester [ACD/Index Name]
1-Arachidonyl-2-vaccenoyl-3-arachidonyl-glycerol
1-Eicosanoyl-2-(11Z-octadecenoyl)-3-eicosanoyl-glycerol
3-(icosanoyloxy)-2-[(11Z)-octadec-11-enoyloxy]propyl icosanoate
TAG(20:0/18:1/20:0)
TAG(58:1)
TG(20:0/18:1(11Z)/20:0)
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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: 846.2±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 123.0±3.0 kJ/mol
Flash Point: 307.4±25.2 °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): 24.96
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 24.96
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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