ChemSpider 2D Image | 3-[(9Z)-9-Heptadecenoyloxy]-2-[(11Z,14Z)-11,14-icosadienoyloxy]propyl (13Z,16Z)-13,16-docosadienoate | C62H110O6

3-[(9Z)-9-Heptadecenoyloxy]-2-[(11Z,14Z)-11,14-icosadienoyloxy]propyl (13Z,16Z)-13,16-docosadienoate

  • Molecular FormulaC62H110O6
  • Average mass951.533 Da
  • Monoisotopic mass950.830261 Da
  • ChemSpider ID7824274

  • 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

(13Z,16Z)-13,16-Docosadiénoate de 3-[(9Z)-9-heptadecenoyloxy]-2-[(11Z,14Z)-11,14-icosadienoyloxy]propyle [French] [ACD/IUPAC Name]
13,16-Docosadienoic acid, 2-[[(11Z,14Z)-1-oxo-11,14-eicosadien-1-yl]oxy]-3-[[(9Z)-1-oxo-9-heptadecen-1-yl]oxy]propyl ester, (13Z,16Z)- [ACD/Index Name]
3-[(9Z)-9-Heptadecenoyloxy]-2-[(11Z,14Z)-11,14-icosadienoyloxy]propyl (13Z,16Z)-13,16-docosadienoate [ACD/IUPAC Name]
3-[(9Z)-9-Heptadecenoyloxy]-2-[(11Z,14Z)-11,14-icosadienoyloxy]propyl-(13Z,16Z)-13,16-docosadienoat [German] [ACD/IUPAC Name]
1-(9Z-heptadecenoyl)-2-(11Z,14Z-eicosadienoyl)-3-(13Z,16Z-docosadienoyl)-sn-glycerol
TG(17:1(9Z)/20:2(11Z,14Z)/22:2(13Z,16Z))[iso6]
TG(17:1/20:2/22:2)[iso6]
TG(17:120:222:2)
TG(59:5)

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

LMGL03011363 [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±50.0 °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±30.2 °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: 25.33
ACD/LogD (pH 5.5): 22.46
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 22.46
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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