ChemSpider 2D Image | 2-[(9Z)-9-Octadecenoyloxy]-1,3-propanediyl (9Z,12Z,15Z,9'Z,12'Z,15'Z)bis(-9,12,15-octadecatrienoate) | C57H96O6

2-[(9Z)-9-Octadecenoyloxy]-1,3-propanediyl (9Z,12Z,15Z,9'Z,12'Z,15'Z)bis(-9,12,15-octadecatrienoate)

  • Molecular FormulaC57H96O6
  • Average mass877.369 Da
  • Monoisotopic mass876.720703 Da
  • ChemSpider ID24768261

  • Double-bond stereo - Double-bond stereo

More details:

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

(9Z,12Z,15Z,9'Z,12'Z,15'Z)Bis(-9,12,15-octadécatriénoate) de 2-[(9Z)-9-octadecenoyloxy]-1,3-propanediyle [French] [ACD/IUPAC Name]
2-[(9Z)-9-Octadecenoyloxy]-1,3-propandiyl-(9Z,12Z,15Z,9'Z,12'Z,15'Z)bis(-9,12,15-octadecatrienoat) [German] [ACD/IUPAC Name]
2-[(9Z)-9-Octadecenoyloxy]-1,3-propanediyl (9Z,12Z,15Z,9'Z,12'Z,15'Z)bis(-9,12,15-octadecatrienoate) [ACD/IUPAC Name]
9,12,15-Octadecatrienoic acid, 2-[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]-1,3-propanediyl ester, (9Z,12Z,15Z,9'Z,12'Z,15'Z)- [ACD/Index Name]
1-a-Linolenoyl-2-oleoyl-3-a-linolenoyl-glycerol
1-α-Linolenoyl-2-oleoyl-3-α-linolenoyl-glycerol
2-[(9Z)-octadec-9-enoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
TAG(18:3/18:1/18:3)
TAG(18:3n3/18:1n9/18:3n3)
TAG(18:3w3/18:1w9/18:3w3)
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: 21.32
ACD/LogD (pH 5.5): 18.53
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 18.53
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