ChemSpider 2D Image | (2R)-3-[(9Z)-9-Hexadecenoyloxy]-2-(stearoyloxy)propyl (5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoate | C57H98O6

(2R)-3-[(9Z)-9-Hexadecenoyloxy]-2-(stearoyloxy)propyl (5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoate

  • Molecular FormulaC57H98O6
  • Average mass879.384 Da
  • Monoisotopic mass878.736328 Da
  • ChemSpider ID7823317

  • 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-Hexadecenoyloxy]-2-(stearoyloxy)propyl (5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoate [ACD/IUPAC Name]
(2R)-3-[(9Z)-9-Hexadecenoyloxy]-2-(stearoyloxy)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-hexadecenoyloxy]-2-(stearoyloxy)propyle [French] [ACD/IUPAC Name]
5,8,11,14,17-Eicosapentaenoic acid, (2R)-3-[[(9Z)-1-oxo-9-hexadecen-1-yl]oxy]-2-[(1-oxooctadecyl)oxy]propyl ester, (5Z,8Z,11Z,14Z,17Z)- [ACD/Index Name]
(2R)-3-[(9Z)-hexadec-9-enoyloxy]-2-(octadecanoyloxy)propyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
1-(9Z-hexadecenoyl)-2-octadecanoyl-3-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycerol
TG(16:1(9Z)/18:0/20:5(5Z,8Z,11Z,14Z,17Z))[iso6]
TG(16:1/18:0/20:5)[iso6]
TG(16:118:020:5)
TG(54:6)

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

LMGL03010404 [DBID]

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): 19.74
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 19.74
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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