ChemSpider 2D Image | TG(18:0/18:2(9Z,12Z)/18:2(9Z,12Z))[iso3] | C57H102O6

TG(18:0/18:2(9Z,12Z)/18:2(9Z,12Z))[iso3]

  • Molecular FormulaC57H102O6
  • Average mass883.416 Da
  • Monoisotopic mass882.767639 Da
  • ChemSpider ID7823201

  • 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(18:0/18:2(9Z,12Z)/18:2(9Z,12Z))[iso3]
(9Z,12Z,9'Z,12'Z)Bis(-9,12-octadécadiénoate) de 3-(stearoyloxy)-1,2-propanediyle [French] [ACD/IUPAC Name]
3-(Stearoyloxy)-1,2-propandiyl-(9Z,12Z,9'Z,12'Z)bis(-9,12-octadecadienoat) [German] [ACD/IUPAC Name]
3-(Stearoyloxy)-1,2-propanediyl (9Z,12Z,9'Z,12'Z)bis(-9,12-octadecadienoate) [ACD/IUPAC Name]
9,12-Octadecadienoic acid, 1-[[(1-oxooctadecyl)oxy]methyl]-1,2-ethanediyl ester, (9Z,12Z,9'Z,12'Z)- [ACD/Index Name]
(2R)-1-[(9Z,12Z)-octadeca-9,12-dienoyloxy]-3-(octadecanoyloxy)propan-2-yl (9Z,12Z)-octadeca-9,12-dienoate
1-octadecanoyl-2,3-di-(9Z,12Z-octadecadienoyl)-sn-glycerol
1-Stearoyl-2-linoleoyl-3-linoleoyl-glycerol
TAG(18:0/18:2/18:2)
TAG(18:0/18:2n6/18:2n6)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

EPA Pesticide Chemical Code 079011 [DBID]
LMGL03010287 [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: 818.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 118.9±3.0 kJ/mol
Flash Point: 302.8±32.9 °C
Index of Refraction: 1.481
Molar Refractivity: 271.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 52
#Rule of 5 Violations: 2
ACD/LogP: 23.19
ACD/LogD (pH 5.5): 21.39
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 21.39
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 107.7±0.5 10-24cm3
Surface Tension: 34.9±3.0 dyne/cm
Molar Volume: 954.7±3.0 cm3

Click to predict properties on the Chemicalize site


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