ChemSpider 2D Image | 1-(Tetradecanoyloxy)-3-[(9Z)-9-tetradecenoyloxy]-2-propanyl icosanoate | C51H96O6

1-(Tetradecanoyloxy)-3-[(9Z)-9-tetradecenoyloxy]-2-propanyl icosanoate

  • Molecular FormulaC51H96O6
  • Average mass805.304 Da
  • Monoisotopic mass804.720703 Da
  • ChemSpider ID59651750

  • 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

1-(Tetradecanoyloxy)-3-[(9Z)-9-tetradecenoyloxy]-2-propanyl icosanoate [ACD/IUPAC Name]
1-(Tetradecanoyloxy)-3-[(9Z)-9-tetradecenoyloxy]-2-propanyl-icosanoat [German] [ACD/IUPAC Name]
Eicosanoic acid, 2-[[(9Z)-1-oxo-9-tetradecen-1-yl]oxy]-1-[[(1-oxotetradecyl)oxy]methyl]ethyl ester [ACD/Index Name]
Icosanoate de 1-(tetradecanoyloxy)-3-[(9Z)-9-tetradecenoyloxy]-2-propanyle [French] [ACD/IUPAC Name]
(2S)-1-[(9Z)-tetradec-9-enoyloxy]-3-(tetradecanoyloxy)propan-2-yl icosanoate
1-Myristoyl-2-arachidonyl-3-myristoleoyl-glycerol
1-Tetradecanoyl-2-eicosanoyl-3-(9Z-tetradecenoyl)-glycerol
TAG(14:0/20:0/14:1)
TAG(48:1)
TG(14:0/20:0/14:1(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: 764.6±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.4±3.0 kJ/mol
Flash Point: 288.4±24.6 °C
Index of Refraction: 1.469
Molar Refractivity: 243.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 49
#Rule of 5 Violations: 2
ACD/LogP: 21.56
ACD/LogD (pH 5.5): 19.80
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 19.80
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 96.6±0.5 10-24cm3
Surface Tension: 34.5±3.0 dyne/cm
Molar Volume: 874.8±3.0 cm3

Click to predict properties on the Chemicalize site


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