ChemSpider 2D Image | 3-(Heptadecanoyloxy)-2-[(9Z)-9-heptadecenoyloxy]propyl (11Z,14Z)-11,14-icosadienoate | C57H104O6

3-(Heptadecanoyloxy)-2-[(9Z)-9-heptadecenoyloxy]propyl (11Z,14Z)-11,14-icosadienoate

  • Molecular FormulaC57H104O6
  • Average mass885.432 Da
  • Monoisotopic mass884.783264 Da
  • ChemSpider ID7823155

  • 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

(11Z,14Z)-11,14-Icosadiénoate de 3-(heptadecanoyloxy)-2-[(9Z)-9-heptadecenoyloxy]propyle [French] [ACD/IUPAC Name]
11,14-Eicosadienoic acid, 2-[[(9Z)-1-oxo-9-heptadecen-1-yl]oxy]-3-[(1-oxoheptadecyl)oxy]propyl ester, (11Z,14Z)- [ACD/Index Name]
3-(Heptadecanoyloxy)-2-[(9Z)-9-heptadecenoyloxy]propyl (11Z,14Z)-11,14-icosadienoate [ACD/IUPAC Name]
3-(Heptadecanoyloxy)-2-[(9Z)-9-heptadecenoyloxy]propyl-(11Z,14Z)-11,14-icosadienoat [German] [ACD/IUPAC Name]
1-heptadecanoyl-2-(9Z-heptadecenoyl)-3-(11Z,14Z-eicosadienoyl)-sn-glycerol
TG(17:0/17:1(9Z)/20:2(11Z,14Z))[iso6]
TG(17:0/17:1/20:2)[iso6]
TG(17:017:120:2)
TG(54:3)

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

LMGL03010240 [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: 818.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 118.9±3.0 kJ/mol
Flash Point: 302.5±28.8 °C
Index of Refraction: 1.477
Molar Refractivity: 271.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 53
#Rule of 5 Violations: 2
ACD/LogP: 23.71
ACD/LogD (pH 5.5): 21.76
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 21.76
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: 34.7±3.0 dyne/cm
Molar Volume: 961.1±3.0 cm3

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