ChemSpider 2D Image | TG(16:0/16:0/20:0)[iso3] | C55H106O6

TG(16:0/16:0/20:0)[iso3]

  • Molecular FormulaC55H106O6
  • Average mass863.427 Da
  • Monoisotopic mass862.798950 Da
  • ChemSpider ID7822997

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

TG(16:0/16:0/20:0)[iso3]
2,3-Bis(palmitoyloxy)propyl icosanoate [ACD/IUPAC Name]
2,3-Bis(palmitoyloxy)propyl-icosanoat [German] [ACD/IUPAC Name]
Eicosanoic acid, 2,3-bis[(1-oxohexadecyl)oxy]propyl ester [ACD/Index Name]
Icosanoate de 2,3-bis(palmitoyloxy)propyle [French] [ACD/IUPAC Name]
(2R)-2,3-bis(hexadecanoyloxy)propyl icosanoate
1,2-dihexadecanoyl-3-eicosanoyl-sn-glycerol
1-Palmitoyl-2-palmitoyl-3-arachidonyl-glycerol
TAG(16:0/16:0/20:0)
TAG(52:0)
More...

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

EPA Pesticide Chemical Code 079011 [DBID]
LMGL03010080 [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: 795.6±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.7±3.0 kJ/mol
Flash Point: 295.1±23.8 °C
Index of Refraction: 1.466
Molar Refractivity: 262.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 54
#Rule of 5 Violations: 2
ACD/LogP: 24.20
ACD/LogD (pH 5.5): 22.98
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 22.98
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 103.9±0.5 10-24cm3
Surface Tension: 34.3±3.0 dyne/cm
Molar Volume: 947.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement