ChemSpider 2D Image | TG(18:0/18:0/20:0)[iso3] | C59H114O6

TG(18:0/18:0/20:0)[iso3]

  • Molecular FormulaC59H114O6
  • Average mass919.533 Da
  • Monoisotopic mass918.861511 Da
  • ChemSpider ID7823254

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

TG(18:0/18:0/20:0)[iso3]
2,3-Bis(stearoyloxy)propyl icosanoate [ACD/IUPAC Name]
2,3-Bis(stearoyloxy)propyl-icosanoat [German] [ACD/IUPAC Name]
Eicosanoic acid, 2,3-bis[(1-oxooctadecyl)oxy]propyl ester [ACD/Index Name]
Icosanoate de 2,3-bis(stearoyloxy)propyle [French] [ACD/IUPAC Name]
(2R)-2,3-bis(octadecanoyloxy)propyl icosanoate
1,2-dioctadecanoyl-3-eicosanoyl-sn-glycerol
1-Stearoyl-2-stearoyl-3-arachidonyl-glycerol
TAG(18:0/18:0/20:0)
TAG(56:0)
More...

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

EPA Pesticide Chemical Code 079011 [DBID]
LMGL03010340 [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: 830.2±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.6±3.0 kJ/mol
Flash Point: 303.4±25.2 °C
Index of Refraction: 1.466
Molar Refractivity: 280.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 58
#Rule of 5 Violations: 2
ACD/LogP: 26.33
ACD/LogD (pH 5.5): 24.86
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 24.86
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 111.3±0.5 10-24cm3
Surface Tension: 34.2±3.0 dyne/cm
Molar Volume: 1013.3±3.0 cm3

Click to predict properties on the Chemicalize site


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