ChemSpider 2D Image | 1,3-Bis(tetradecanoyloxy)-2-propanyl (13Z)-13-docosenoate | C53H100O6

1,3-Bis(tetradecanoyloxy)-2-propanyl (13Z)-13-docosenoate

  • Molecular FormulaC53H100O6
  • Average mass833.357 Da
  • Monoisotopic mass832.752014 Da
  • ChemSpider ID30777664

  • Double-bond stereo - Double-bond stereo

More details:

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

(13Z)-13-Docosénoate de 1,3-bis(tetradecanoyloxy)-2-propanyle [French] [ACD/IUPAC Name]
1,3-Bis(tetradecanoyloxy)-2-propanyl (13Z)-13-docosenoate [ACD/IUPAC Name]
1,3-Bis(tetradecanoyloxy)-2-propanyl-(13Z)-13-docosenoat [German] [ACD/IUPAC Name]
13-Docosenoic acid, 2-[(1-oxotetradecyl)oxy]-1-[[(1-oxotetradecyl)oxy]methyl]ethyl ester, (13Z)- [ACD/Index Name]
1,3-bis(tetradecanoyloxy)propan-2-yl (13Z)-docos-13-enoate
1-Myristoyl-2-erucoyl-3-myristoyl-glycerol
1-Tetradecanoyl-2-(13Z-docosenoyl)-3-tetradecanoyl-glycerol
TAG(14:0/22:1/14:0)
TAG(50:1)
TG(14:0/22:1(13Z)/14:0)
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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: 777.1±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.1±3.0 kJ/mol
Flash Point: 290.7±23.8 °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): 21.45
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 21.45
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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