ChemSpider 2D Image | 1,3-Bis[(9Z)-9-tetradecenoyloxy]-2-propanyl icosanoate | C51H94O6

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

  • Molecular FormulaC51H94O6
  • Average mass803.289 Da
  • Monoisotopic mass802.705017 Da
  • ChemSpider ID30777851

  • Double-bond stereo - Double-bond stereo

More details:

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

1,3-Bis[(9Z)-9-tetradecenoyloxy]-2-propanyl icosanoate [ACD/IUPAC Name]
1,3-Bis[(9Z)-9-tetradecenoyloxy]-2-propanyl-icosanoat [German] [ACD/IUPAC Name]
Eicosanoic acid, 2-[[(9Z)-1-oxo-9-tetradecen-1-yl]oxy]-1-[[[(9Z)-1-oxo-9-tetradecen-1-yl]oxy]methyl]ethyl ester [ACD/Index Name]
Icosanoate de 1,3-bis[(9Z)-9-tetradecenoyloxy]-2-propanyle [French] [ACD/IUPAC Name]
1-(9Z-Tetradecenoyl)-2-eicosanoyl-3-(9Z-tetradecenoyl)-glycerol
1,3-bis[(9Z)-tetradec-9-enoyloxy]propan-2-yl icosanoate
1-Myristoleoyl-2-arachidonyl-3-myristoleoyl-glycerol
TAG(14:1/20:0/14:1)
TAG(48:2)
TG(14:1(9Z)/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: 766.6±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.6±3.0 kJ/mol
Flash Point: 289.5±27.4 °C
Index of Refraction: 1.473
Molar Refractivity: 243.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 48
#Rule of 5 Violations: 2
ACD/LogP: 21.04
ACD/LogD (pH 5.5): 18.77
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 18.77
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: 34.7±3.0 dyne/cm
Molar Volume: 868.4±3.0 cm3

Click to predict properties on the Chemicalize site


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