ChemSpider 2D Image | 2-(Tetradecanoyloxy)-1,3-propanediyl (5Z,8Z,11Z,5'Z,8'Z,11'Z)bis(-5,8,11-icosatrienoate) | C57H98O6

2-(Tetradecanoyloxy)-1,3-propanediyl (5Z,8Z,11Z,5'Z,8'Z,11'Z)bis(-5,8,11-icosatrienoate)

  • Molecular FormulaC57H98O6
  • Average mass879.384 Da
  • Monoisotopic mass878.736328 Da
  • ChemSpider ID30777985

  • Double-bond stereo - Double-bond stereo

More details:

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

(5Z,8Z,11Z,5'Z,8'Z,11'Z)Bis(-5,8,11-icosatriénoate) de 2-(tetradecanoyloxy)-1,3-propanediyle [French] [ACD/IUPAC Name]
2-(Tetradecanoyloxy)-1,3-propandiyl-(5Z,8Z,11Z,5'Z,8'Z,11'Z)bis(-5,8,11-icosatrienoat) [German] [ACD/IUPAC Name]
2-(Tetradecanoyloxy)-1,3-propanediyl (5Z,8Z,11Z,5'Z,8'Z,11'Z)bis(-5,8,11-icosatrienoate) [ACD/IUPAC Name]
5,8,11-Eicosatrienoic acid, 2-[(1-oxotetradecyl)oxy]-1,3-propanediyl ester, (5Z,8Z,11Z,5'Z,8'Z,11'Z)- [ACD/Index Name]
1-(5Z,8Z,11Z-Eicosatrienoyl)-2-tetradecanoyl-3-(5Z,8Z,11Z-eicosatrienoyl)-glycerol
1-Meadoyl-2-myristoyl-3-meadoyl-glycerol
3-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]-2-(tetradecanoyloxy)propyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate
TAG(20:3/14:0/20:3)
TAG(54:6)
TG(20:3(5Z,8Z,11Z)/14:0/20:3(5Z,8Z,11Z))
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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: 816.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.7±3.0 kJ/mol
Flash Point: 303.0±34.3 °C
Index of Refraction: 1.489
Molar Refractivity: 271.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 50
#Rule of 5 Violations: 2
ACD/LogP: 22.08
ACD/LogD (pH 5.5): 20.60
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 20.60
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 107.7±0.5 10-24cm3
Surface Tension: 35.2±3.0 dyne/cm
Molar Volume: 941.9±3.0 cm3

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