ChemSpider 2D Image | 1-[(11Z,14Z)-11,14-Icosadienoyloxy]-3-(pentadecanoyloxy)-2-propanyl (13Z,16Z)-13,16-docosadienoate | C60H108O6

1-[(11Z,14Z)-11,14-Icosadienoyloxy]-3-(pentadecanoyloxy)-2-propanyl (13Z,16Z)-13,16-docosadienoate

  • Molecular FormulaC60H108O6
  • Average mass925.496 Da
  • Monoisotopic mass924.814575 Da
  • ChemSpider ID59653059

  • 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

(13Z,16Z)-13,16-Docosadiénoate de 1-[(11Z,14Z)-11,14-icosadienoyloxy]-3-(pentadecanoyloxy)-2-propanyle [French] [ACD/IUPAC Name]
1-[(11Z,14Z)-11,14-Icosadienoyloxy]-3-(pentadecanoyloxy)-2-propanyl (13Z,16Z)-13,16-docosadienoate [ACD/IUPAC Name]
1-[(11Z,14Z)-11,14-Icosadienoyloxy]-3-(pentadecanoyloxy)-2-propanyl-(13Z,16Z)-13,16-docosadienoat [German] [ACD/IUPAC Name]
13,16-Docosadienoic acid, 2-[[(11Z,14Z)-1-oxo-11,14-eicosadien-1-yl]oxy]-1-[[(1-oxopentadecyl)oxy]methyl]ethyl ester, (13Z,16Z)- [ACD/Index Name]
(2S)-1-[(11Z,14Z)-icosa-11,14-dienoyloxy]-3-(pentadecanoyloxy)propan-2-yl (13Z,16Z)-docosa-13,16-dienoate
1-Pentadecanoyl-2-(13Z,16Z-docosadienoyl)-3-(11Z,14Z-eicosadienoyl)-glycerol
1-Pentadecanoyl-2-docosadienoyl-3-eicosadienoyl-glycerol
TAG(15:0/22:2/20:2)
TAG(15:0/22:2/20:2n6)
TAG(15:0/22:2/20:2w6)
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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: 839.8±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 122.0±3.0 kJ/mol
Flash Point: 307.4±27.4 °C
Index of Refraction: 1.481
Molar Refractivity: 285.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 55
#Rule of 5 Violations: 2
ACD/LogP: 24.79
ACD/LogD (pH 5.5): 22.68
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 22.68
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 113.2±0.5 10-24cm3
Surface Tension: 34.8±3.0 dyne/cm
Molar Volume: 1004.2±3.0 cm3

Click to predict properties on the Chemicalize site


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