ChemSpider 2D Image | TG(16:0/16:0/18:1(11Z))[iso3] | C53H100O6

TG(16:0/16:0/18:1(11Z))[iso3]

  • Molecular FormulaC53H100O6
  • Average mass833.357 Da
  • Monoisotopic mass832.752014 Da
  • ChemSpider ID24768193

  • 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)-11-Octadécénoate de 2,3-bis(palmitoyloxy)propyle [French] [ACD/IUPAC Name]
11-Octadecenoic acid, 2,3-bis[(1-oxohexadecyl)oxy]propyl ester, (11Z)- [ACD/Index Name]
2,3-Bis(palmitoyloxy)propyl (11Z)-11-octadecenoate [ACD/IUPAC Name]
2,3-Bis(palmitoyloxy)propyl-(11Z)-11-octadecenoat [German] [ACD/IUPAC Name]
TG(16:0/16:0/18:1(11Z))[iso3]
(2R)-2,3-bis(hexadecanoyloxy)propyl (11Z)-octadec-11-enoate
1-Palmitoyl-2-palmitoyl-3-vaccenoyl-glycerol
TAG(16:0/16:0/18:1)
TAG(16:0/16:0/18:1n7)
TAG(16:0/16:0/18:1w7)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.9±0.1 g/cm3
Boiling Point: 777.1±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.1±3.0 kJ/mol
Flash Point: 290.7±23.8 °C
Index of Refraction: 1.469
Molar Refractivity: 252.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 51
#Rule of 5 Violations: 2
ACD/LogP: 22.62
ACD/LogD (pH 5.5): 21.15
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 21.15
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 100.3±0.5 10-24cm3
Surface Tension: 34.5±3.0 dyne/cm
Molar Volume: 907.8±3.0 cm3

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