ChemSpider 2D Image | TG(18:1(9Z)/20:1(11Z)/20:1(11Z))[iso3] | C61H112O6

TG(18:1(9Z)/20:1(11Z)/20:1(11Z))[iso3]

  • Molecular FormulaC61H112O6
  • Average mass941.538 Da
  • Monoisotopic mass940.845886 Da
  • ChemSpider ID7823698

  • 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(18:1(9Z)/20:1(11Z)/20:1(11Z))[iso3]
(11Z,11'Z)Bis(-11-icosénoate) de 3-[(9Z)-9-octadecenoyloxy]-1,2-propanediyle [French] [ACD/IUPAC Name]
11-Eicosenoic acid, 1-[[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]methyl]-1,2-ethanediyl ester, (11Z,11'Z)- [ACD/Index Name]
3-[(9Z)-9-Octadecenoyloxy]-1,2-propandiyl-(11Z,11'Z)bis(-11-icosenoat) [German] [ACD/IUPAC Name]
3-[(9Z)-9-Octadecenoyloxy]-1,2-propanediyl (11Z,11'Z)bis(-11-icosenoate) [ACD/IUPAC Name]
(2S)-1-[(11Z)-icos-11-enoyloxy]-3-[(9Z)-octadec-9-enoyloxy]propan-2-yl (11Z)-icos-11-enoate
1-(9Z-octadecenoyl)-2,3-di-(11Z-eicosenoyl)-sn-glycerol
1-Oleoyl-2-eicosenoyl-3-eicosenoyl-glycerol
TAG(18:1/20:1/20:1)
TAG(18:1n9/20:1n9/20:1n9)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

EPA Pesticide Chemical Code 079011 [DBID]
LMGL03010787 [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: 849.9±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 123.5±3.0 kJ/mol
Flash Point: 309.6±26.0 °C
Index of Refraction: 1.477
Molar Refractivity: 290.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 57
#Rule of 5 Violations: 2
ACD/LogP: 25.84
ACD/LogD (pH 5.5): 23.85
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 23.85
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: 34.7±3.0 dyne/cm
Molar Volume: 1027.1±3.0 cm3

Click to predict properties on the Chemicalize site


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