ChemSpider 2D Image | 2-[(11Z)-11-Octadecenoyloxy]-1,3-propanediyl (6Z,9Z,12Z,6'Z,9'Z,12'Z)bis(-6,9,12-octadecatrienoate) | C57H96O6

2-[(11Z)-11-Octadecenoyloxy]-1,3-propanediyl (6Z,9Z,12Z,6'Z,9'Z,12'Z)bis(-6,9,12-octadecatrienoate)

  • Molecular FormulaC57H96O6
  • Average mass877.369 Da
  • Monoisotopic mass876.720703 Da
  • ChemSpider ID30778108

  • 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-[(11Z)-11-octadecenoyloxy]-1,3-propanediyle [French] [ACD/IUPAC Name]
2-[(11Z)-11-Octadecenoyloxy]-1,3-propandiyl-(6Z,9Z,12Z,6'Z,9'Z,12'Z)bis(-6,9,12-octadecatrienoat) [German] [ACD/IUPAC Name]
2-[(11Z)-11-Octadecenoyloxy]-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-[[(11Z)-1-oxo-11-octadecen-1-yl]oxy]-1,3-propanediyl ester, (6Z,9Z,12Z,6'Z,9'Z,12'Z)- [ACD/Index Name]
1-(6Z,9Z,12Z-Octadecatrienoyl)-2-(11Z-octadecenoyl)-3-(6Z,9Z,12Z-octadecatrienoyl)-glycerol
1-g-Linolenoyl-2-vaccenoyl-3-g-linolenoyl-glycerol
2-[(11Z)-octadec-11-enoyloxy]-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate
TAG(18:3/18:1/18:3)
TAG(54:7)
TG(18:3(6Z,9Z,12Z)/18:1(11Z)/18:3(6Z,9Z,12Z))
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: 815.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.6±3.0 kJ/mol
Flash Point: 303.2±34.3 °C
Index of Refraction: 1.493
Molar Refractivity: 271.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 49
#Rule of 5 Violations: 2
ACD/LogP: 21.45
ACD/LogD (pH 5.5): 18.47
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 18.47
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 107.8±0.5 10-24cm3
Surface Tension: 35.4±3.0 dyne/cm
Molar Volume: 935.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement