ChemSpider 2D Image | 1,3-Bis[(11Z)-11-octadecenoyloxy]-2-propanyl (6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoate | C57H98O6

1,3-Bis[(11Z)-11-octadecenoyloxy]-2-propanyl (6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoate

  • Molecular FormulaC57H98O6
  • Average mass879.384 Da
  • Monoisotopic mass878.736328 Da
  • ChemSpider ID30777925

  • Double-bond stereo - Double-bond stereo

More details:

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

(6Z,9Z,12Z,15Z)-6,9,12,15-Octadécatétraénoate de 1,3-bis[(11Z)-11-octadecenoyloxy]-2-propanyle [French] [ACD/IUPAC Name]
1,3-Bis[(11Z)-11-octadecenoyloxy]-2-propanyl (6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoate [ACD/IUPAC Name]
1,3-Bis[(11Z)-11-octadecenoyloxy]-2-propanyl-(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoat [German] [ACD/IUPAC Name]
6,9,12,15-Octadecatetraenoic acid, 2-[[(11Z)-1-oxo-11-octadecen-1-yl]oxy]-1-[[[(11Z)-1-oxo-11-octadecen-1-yl]oxy]methyl]ethyl ester, (6Z,9Z,12Z,15Z)- [ACD/Index Name]
1-(11Z-Octadecenoyl)-2-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-3-(11Z-octadecenoyl)-glycerol
1,3-bis[(11Z)-octadec-11-enoyloxy]propan-2-yl (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate
1-Vaccenoyl-2-stearidonoyl-3-vaccenoyl-glycerol
TAG(18:1/18:4/18:1)
TAG(54:6)
TG(18:1(11Z)/18:4(6Z,9Z,12Z,15Z)/18:1(11Z))
More...

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: 21.90
ACD/LogD (pH 5.5): 18.50
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 18.50
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


Advertisement