ChemSpider 2D Image | 2,3-Bis[(9E)-9-octadecenoyloxy]propyl (8E,11E,14E)-8,11,14-icosatrienoate | C59H104O6

2,3-Bis[(9E)-9-octadecenoyloxy]propyl (8E,11E,14E)-8,11,14-icosatrienoate

  • Molecular FormulaC59H104O6
  • Average mass909.453 Da
  • Monoisotopic mass908.783264 Da
  • ChemSpider ID59699403

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(8E,11E,14E)-8,11,14-Icosatriénoate de 2,3-bis[(9E)-9-octadecenoyloxy]propyle [French] [ACD/IUPAC Name]
2,3-Bis[(9E)-9-octadecenoyloxy]propyl (8E,11E,14E)-8,11,14-icosatrienoate [ACD/IUPAC Name]
2,3-Bis[(9E)-9-octadecenoyloxy]propyl-(8E,11E,14E)-8,11,14-icosatrienoat [German] [ACD/IUPAC Name]
8,11,14-Eicosatrienoic acid, 2,3-bis[[(9E)-1-oxo-9-octadecen-1-yl]oxy]propyl ester, (8E,11E,14E)- [ACD/Index Name]
(2R)-2,3-bis(octadec-9-enoyloxy)propyl icosa-8,11,14-trienoate
TG(18:1(9Z)/18:1(9Z)/20:3(8Z,11Z,14Z))[iso3]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.9±0.1 g/cm3
Boiling Point: 834.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 121.2±3.0 kJ/mol
Flash Point: 307.0±34.3 °C
Index of Refraction: 1.484
Molar Refractivity: 281.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 53
#Rule of 5 Violations: 2
ACD/LogP: 23.58
ACD/LogD (pH 5.5): 21.48
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 21.48
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 111.4±0.5 10-24cm3
Surface Tension: 35.0±3.0 dyne/cm
Molar Volume: 981.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement