ChemSpider 2D Image | 2-(Stearoyloxy)-1,3-propanediyl (6Z,9Z,12Z,6'Z,9'Z,12'Z)bis(-6,9,12-octadecatrienoate) | C57H98O6

2-(Stearoyloxy)-1,3-propanediyl (6Z,9Z,12Z,6'Z,9'Z,12'Z)bis(-6,9,12-octadecatrienoate)

  • Molecular FormulaC57H98O6
  • Average mass879.384 Da
  • Monoisotopic mass878.736328 Da
  • ChemSpider ID30778102

  • Double-bond stereo - Double-bond stereo

More details:

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

(6Z,9Z,12Z,6'Z,9'Z,12'Z)Bis(-6,9,12-octadécatriénoate) de 2-(stearoyloxy)-1,3-propanediyle [French] [ACD/IUPAC Name]
2-(Stearoyloxy)-1,3-propandiyl-(6Z,9Z,12Z,6'Z,9'Z,12'Z)bis(-6,9,12-octadecatrienoat) [German] [ACD/IUPAC Name]
2-(Stearoyloxy)-1,3-propanediyl (6Z,9Z,12Z,6'Z,9'Z,12'Z)bis(-6,9,12-octadecatrienoate) [ACD/IUPAC Name]
6,9,12-Octadecatrienoic acid, 2-[(1-oxooctadecyl)oxy]-1,3-propanediyl ester, (6Z,9Z,12Z,6'Z,9'Z,12'Z)- [ACD/Index Name]
1-(6Z,9Z,12Z-Octadecatrienoyl)-2-octadecanoyl-3-(6Z,9Z,12Z-octadecatrienoyl)-glycerol
1-g-Linolenoyl-2-stearoyl-3-g-linolenoyl-glycerol
3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]-2-(octadecanoyloxy)propyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate
TAG(18:3/18:0/18:3)
TAG(54:6)
TG(18:3(6Z,9Z,12Z)/18:0/18:3(6Z,9Z,12Z))
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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: 21.97
ACD/LogD (pH 5.5): 19.83
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 19.83
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

Click to predict properties on the Chemicalize site


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