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Search term: 75320191 (Found by CSID)
ChemSpider 2D Image | 3-(Tetradecanoyloxy)-2-[(9Z)-9-tetradecenoyloxy]propyl docosanoate | C53H100O6

3-(Tetradecanoyloxy)-2-[(9Z)-9-tetradecenoyloxy]propyl docosanoate

  • Molecular FormulaC53H100O6
  • Average mass833.357 Da
  • Monoisotopic mass832.752014 Da
  • ChemSpider ID75320191

  • 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-(Tetradecanoyloxy)-2-[(9Z)-9-tetradecenoyloxy]propyl docosanoate [ACD/IUPAC Name]
3-(Tetradecanoyloxy)-2-[(9Z)-9-tetradecenoyloxy]propyl-docosanoat [German] [ACD/IUPAC Name]
Docosanoate de 3-(tetradecanoyloxy)-2-[(9Z)-9-tetradecenoyloxy]propyle [French] [ACD/IUPAC Name]
Docosanoic acid, 2-[[(9Z)-1-oxo-9-tetradecen-1-yl]oxy]-3-[(1-oxotetradecyl)oxy]propyl ester [ACD/Index Name]
(2R)-2-[(9Z)-tetradec-9-enoyloxy]-3-(tetradecanoyloxy)propyl docosanoate
1-tetradecanoyl-2-(9Z-tetradecenoyl)-3-docosanoyl-sn-glycerol
TG(14:0/14:1(9Z)/22:0)[iso6]
TG(14:014:122:0)
TG(50:1)

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: 782.6±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.9±3.0 kJ/mol
Flash Point: 292.9±24.6 °C
Index of Refraction: 1.469
Molar Refractivity: 252.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 51
#Rule of 5 Violations: 2
ACD/LogP: 22.62
ACD/LogD (pH 5.5): 20.73
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 20.73
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 100.3±0.5 10-24cm3
Surface Tension: 34.5±3.0 dyne/cm
Molar Volume: 907.8±3.0 cm3

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