ChemSpider 2D Image | 3-[(9Z)-9-Heptadecenoyloxy]-2-[(11Z)-11-icosenoyloxy]propyl (10Z,13Z,16Z)-10,13,16-docosatrienoate | C62H110O6

3-[(9Z)-9-Heptadecenoyloxy]-2-[(11Z)-11-icosenoyloxy]propyl (10Z,13Z,16Z)-10,13,16-docosatrienoate

  • Molecular FormulaC62H110O6
  • Average mass951.533 Da
  • Monoisotopic mass950.830261 Da
  • ChemSpider ID7824114

  • 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

(10Z,13Z,16Z)-10,13,16-Docosatriénoate de 3-[(9Z)-9-heptadecenoyloxy]-2-[(11Z)-11-icosenoyloxy]propyle [French] [ACD/IUPAC Name]
10,13,16-Docosatrienoic acid, 2-[[(11Z)-1-oxo-11-eicosen-1-yl]oxy]-3-[[(9Z)-1-oxo-9-heptadecen-1-yl]oxy]propyl ester, (10Z,13Z,16Z)- [ACD/Index Name]
3-[(9Z)-9-Heptadecenoyloxy]-2-[(11Z)-11-icosenoyloxy]propyl (10Z,13Z,16Z)-10,13,16-docosatrienoate [ACD/IUPAC Name]
3-[(9Z)-9-Heptadecenoyloxy]-2-[(11Z)-11-icosenoyloxy]propyl-(10Z,13Z,16Z)-10,13,16-docosatrienoat [German] [ACD/IUPAC Name]
1-(9Z-heptadecenoyl)-2-(11Z-eicosenoyl)-3-(10Z,13Z,16Z-docosatrienoyl)-sn-glycerol
TG(17:1(9Z)/20:1(11Z)/22:3(10Z,13Z,16Z))[iso6]
TG(17:1/20:1/22:3)[iso6]
TG(17:120:122:3)
TG(59:5)

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

LMGL03011203 [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: 25.17
ACD/LogD (pH 5.5): 22.88
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 22.88
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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