ChemSpider 2D Image | TG(18:0/20:0/20:1(11Z))[iso6] | C61H116O6

TG(18:0/20:0/20:1(11Z))[iso6]

  • Molecular FormulaC61H116O6
  • Average mass945.570 Da
  • Monoisotopic mass944.877197 Da
  • ChemSpider ID7823567

  • 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

TG(18:0/20:0/20:1(11Z))[iso6]
(11Z)-11-Icosénoate de 2-(icosanoyloxy)-3-(stearoyloxy)propyle [French] [ACD/IUPAC Name]
11-Eicosenoic acid, 2-[(1-oxoeicosyl)oxy]-3-[(1-oxooctadecyl)oxy]propyl ester, (11Z)- [ACD/Index Name]
2-(Icosanoyloxy)-3-(stearoyloxy)propyl (11Z)-11-icosenoate [ACD/IUPAC Name]
2-(Icosanoyloxy)-3-(stearoyloxy)propyl-(11Z)-11-icosenoat [German] [ACD/IUPAC Name]
(2R)-2-(icosanoyloxy)-3-(octadecanoyloxy)propyl (11Z)-icos-11-enoate
1-octadecanoyl-2-eicosanoyl-3-(11Z-eicosenoyl)-sn-glycerol
1-Stearoyl-2-arachidonyl-3-eicosenoyl-glycerol
TAG(18:0/20:0/20:1)
TAG(18:0/20:0/20:1n9)
More...

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

EPA Pesticide Chemical Code 079011 [DBID]
LMGL03010655 [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: 846.2±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 123.0±3.0 kJ/mol
Flash Point: 307.4±25.2 °C
Index of Refraction: 1.470
Molar Refractivity: 290.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 59
#Rule of 5 Violations: 2
ACD/LogP: 26.87
ACD/LogD (pH 5.5): 25.26
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 25.26
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 115.0±0.5 10-24cm3
Surface Tension: 34.4±3.0 dyne/cm
Molar Volume: 1039.9±3.0 cm3

Click to predict properties on the Chemicalize site


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