ChemSpider 2D Image | 1-[(9Z)-9-Octadecenoyloxy]-3-(palmitoyloxy)(~2~H_5_)-2-propanyl (5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoate | C57H93D5O6

1-[(9Z)-9-Octadecenoyloxy]-3-(palmitoyloxy)(2H5)-2-propanyl (5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoate

  • Molecular FormulaC57H93D5O6
  • Average mass884.415 Da
  • Monoisotopic mass883.767700 Da
  • ChemSpider ID107436762

  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope

More details:

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

(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-Icosapentaénoate de 1-[(9Z)-9-octadecenoyloxy]-3-(palmitoyloxy)(2H5)-2-propanyle [French] [ACD/IUPAC Name]
1-[(9Z)-9-Octadecenoyloxy]-3-(palmitoyloxy)(2H5)-2-propanyl (5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoate [ACD/IUPAC Name]
1-[(9Z)-9-Octadecenoyloxy]-3-(palmitoyloxy)(2H5)-2-propanyl-(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoat [German] [ACD/IUPAC Name]
5,8,11,14,17-Eicosapentaenoic acid, 2-[(1-oxohexadecyl)oxy]-1-[[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]methyl-d2]ethyl-1,2,2-d3 ester, (5Z,8Z,11Z,14Z,17Z)- [ACD/Index Name]

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

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