ChemSpider 2D Image | (2R)-2-(Icosanoyloxy)-3-(nonadecanoyloxy)propyl (5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoate | C62H110O6

(2R)-2-(Icosanoyloxy)-3-(nonadecanoyloxy)propyl (5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoate

  • Molecular FormulaC62H110O6
  • Average mass951.533 Da
  • Monoisotopic mass950.830261 Da
  • ChemSpider ID7824160

  • 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)-2-(Icosanoyloxy)-3-(nonadecanoyloxy)propyl (5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoate [ACD/IUPAC Name]
(2R)-2-(Icosanoyloxy)-3-(nonadecanoyloxy)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)-2-(icosanoyloxy)-3-(nonadecanoyloxy)propyle [French] [ACD/IUPAC Name]
5,8,11,14,17-Eicosapentaenoic acid, (2R)-2-[(1-oxoeicosyl)oxy]-3-[(1-oxononadecyl)oxy]propyl ester, (5Z,8Z,11Z,14Z,17Z)- [ACD/Index Name]
1-nonadecanoyl-2-eicosanoyl-3-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycerol
TG(19:0/20:0/20:5(5Z,8Z,11Z,14Z,17Z))[iso6]
TG(19:0/20:0/20:5)[iso6]
TG(19:020:020:5)
TG(59:5)

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

LMGL03011249 [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: 859.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 124.9±3.0 kJ/mol
Flash Point: 312.7±34.3 °C
Index of Refraction: 1.484
Molar Refractivity: 294.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 56
#Rule of 5 Violations: 2
ACD/LogP: 24.97
ACD/LogD (pH 5.5): 22.79
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 22.79
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 116.9±0.5 10-24cm3
Surface Tension: 34.9±3.0 dyne/cm
Molar Volume: 1030.8±3.0 cm3

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