ChemSpider 2D Image | 3-[(9Z)-9-Hexadecenoyloxy]-2-(tetradecanoyloxy)propyl tetracosanoate | C57H108O6

3-[(9Z)-9-Hexadecenoyloxy]-2-(tetradecanoyloxy)propyl tetracosanoate

  • Molecular FormulaC57H108O6
  • Average mass889.464 Da
  • Monoisotopic mass888.814575 Da
  • ChemSpider ID59656212

  • 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-Hexadecenoyloxy]-2-(tetradecanoyloxy)propyl tetracosanoate [ACD/IUPAC Name]
3-[(9Z)-9-Hexadecenoyloxy]-2-(tetradecanoyloxy)propyl-tetracosanoat [German] [ACD/IUPAC Name]
Tétracosanoate de 3-[(9Z)-9-hexadecenoyloxy]-2-(tetradecanoyloxy)propyle [French] [ACD/IUPAC Name]
Tetracosanoic acid, 3-[[(9Z)-1-oxo-9-hexadecen-1-yl]oxy]-2-[(1-oxotetradecyl)oxy]propyl ester [ACD/Index Name]
(2S)-3-[(9Z)-hexadec-9-enoyloxy]-2-(tetradecanoyloxy)propyl tetracosanoate
1-Lignoceroyl-2-myristoyl-3-palmitoleoyl-glycerol
1-Tetracosanoyl-2-tetradecanoyl-3-(9Z-hexadecenoyl)-glycerol
TAG(24:0/14:0/16:1)
TAG(54:1)
TG(24:0/14:0/16:1(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: 817.6±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.8±3.0 kJ/mol
Flash Point: 301.5±26.0 °C
Index of Refraction: 1.470
Molar Refractivity: 271.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 55
#Rule of 5 Violations: 2
ACD/LogP: 24.75
ACD/LogD (pH 5.5): 23.07
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 23.07
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 107.6±0.5 10-24cm3
Surface Tension: 34.4±3.0 dyne/cm
Molar Volume: 973.9±3.0 cm3

Click to predict properties on the Chemicalize site


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