ChemSpider 2D Image | TG(18:1(9Z)/16:0/20:5(5Z,8Z,11Z,14Z,17Z))[iso6] | C57H98O6

TG(18:1(9Z)/16:0/20:5(5Z,8Z,11Z,14Z,17Z))[iso6]

  • Molecular FormulaC57H98O6
  • Average mass879.384 Da
  • Monoisotopic mass878.736328 Da
  • ChemSpider ID24768227

  • 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

(2R)-3-[(9Z)-9-Octadecenoyloxy]-2-(palmitoyloxy)propyl (5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoate [ACD/IUPAC Name]
(2R)-3-[(9Z)-9-Octadecenoyloxy]-2-(palmitoyloxy)propyl-(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoat [German] [ACD/IUPAC Name]
(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-Icosapentaénoate de (2R)-3-[(9Z)-9-octadecenoyloxy]-2-(palmitoyloxy)propyle [French] [ACD/IUPAC Name]
5,8,11,14,17-Eicosapentaenoic acid, (2R)-2-[(1-oxohexadecyl)oxy]-3-[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]propyl ester, (5Z,8Z,11Z,14Z,17Z)- [ACD/Index Name]
TG(18:1(9Z)/16:0/20:5(5Z,8Z,11Z,14Z,17Z))[iso6]
(2R)-2-(hexadecanoyloxy)-3-[(9Z)-octadec-9-enoyloxy]propyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
1-Oleoyl-2-palmitoyl-3-eicosapentaenoyl-glycerol
TAG(18:1/16:0/20:5)
TAG(18:1n9/16:0/20:5n3)
TAG(18:1w9/16:0/20:5w3)
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: 21.79
ACD/LogD (pH 5.5): 19.77
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 19.77
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