ChemSpider 2D Image | 1,3-Bis[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]-2-propanyl (6Z,9Z,12Z)-6,9,12-octadecatrienoate | C57H92O6

1,3-Bis[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]-2-propanyl (6Z,9Z,12Z)-6,9,12-octadecatrienoate

  • Molecular FormulaC57H92O6
  • Average mass873.337 Da
  • Monoisotopic mass872.689392 Da
  • ChemSpider ID30778310

  • Double-bond stereo - Double-bond stereo

More details:

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

(6Z,9Z,12Z)-6,9,12-Octadécatriénoate de 1,3-bis[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]-2-propanyle [French] [ACD/IUPAC Name]
1,3-Bis[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]-2-propanyl (6Z,9Z,12Z)-6,9,12-octadecatrienoate [ACD/IUPAC Name]
1,3-Bis[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]-2-propanyl-(6Z,9Z,12Z)-6,9,12-octadecatrienoat [German] [ACD/IUPAC Name]
6,9,12-Octadecatrienoic acid, 2-[[(9Z,12Z,15Z)-1-oxo-9,12,15-octadecatrien-1-yl]oxy]-1-[[[(9Z,12Z,15Z)-1-oxo-9,12,15-octadecatrien-1-yl]oxy]methyl]ethyl ester, (6Z,9Z,12Z)- [ACD/Index Name]
1-(9Z,12Z,15Z-Octadeatrienoyl)-2-(6Z,9Z,12Z-octadecatrienoyl)-3-(9Z,12Z,15Z-octadeatrienoyl)-glycerol
1-a-Linolenoyl-2-g-linolenoyl-3-a-linolenoyl-glycerol
2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
TAG(18:3/18:3/18:3)
TAG(54:9)
TG(18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))
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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: 814.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.4±3.0 kJ/mol
Flash Point: 303.4±34.3 °C
Index of Refraction: 1.501
Molar Refractivity: 271.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 47
#Rule of 5 Violations: 2
ACD/LogP: 20.19
ACD/LogD (pH 5.5): 17.05
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 17.05
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: 35.7±3.0 dyne/cm
Molar Volume: 922.8±3.0 cm3

Click to predict properties on the Chemicalize site


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