ChemSpider 2D Image | TG(18:0/18:1(9Z)/18:1(9Z))[iso3] | C57H106O6

TG(18:0/18:1(9Z)/18:1(9Z))[iso3]

  • Molecular FormulaC57H106O6
  • Average mass887.448 Da
  • Monoisotopic mass886.798950 Da
  • ChemSpider ID7823132

  • 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(18:0/18:1(9Z)/18:1(9Z))[iso3]
(9Z,9'Z)Bis(-9-octadécénoate) de 3-(stearoyloxy)-1,2-propanediyle [French] [ACD/IUPAC Name]
1-octadecanoyl-2,3-dioleoyl-sn-glycerol
3-(Stearoyloxy)-1,2-propandiyl-(9Z,9'Z)bis(-9-octadecenoat) [German] [ACD/IUPAC Name]
3-(Stearoyloxy)-1,2-propanediyl (9Z,9'Z)bis(-9-octadecenoate) [ACD/IUPAC Name]
9-Octadecenoic acid, 1-[[(1-oxooctadecyl)oxy]methyl]-1,2-ethanediyl ester, (9Z,9'Z)- [ACD/Index Name]
(2R)-1-[(9Z)-octadec-9-enoyloxy]-3-(octadecanoyloxy)propan-2-yl (9Z)-octadec-9-enoate
(2R)-3-(octadecanoyloxy)propane-1,2-diyl (9Z,9'Z)di-octadec-9-enoate
1-octadecanoyl-2,3-bis[(9Z)-octadecenoyl]-sn-glycerol
1-octadecanoyl-2,3-di-(9Z-octadecenoyl)-sn-glycerol
More...

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

EPA Pesticide Chemical Code 079011 [DBID]
LMGL03010217 [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: 819.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.1±3.0 kJ/mol
Flash Point: 302.6±28.8 °C
Index of Refraction: 1.473
Molar Refractivity: 271.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 54
#Rule of 5 Violations: 2
ACD/LogP: 24.23
ACD/LogD (pH 5.5): 22.76
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 22.76
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 107.6±0.5 10-24cm3
Surface Tension: 34.6±3.0 dyne/cm
Molar Volume: 967.5±3.0 cm3

Click to predict properties on the Chemicalize site


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