ChemSpider 2D Image | TG(18:2(9Z,12Z)/18:1(11Z)/18:2(9Z,12Z))[iso3] | C57H100O6

TG(18:2(9Z,12Z)/18:1(11Z)/18:2(9Z,12Z))[iso3]

  • Molecular FormulaC57H100O6
  • Average mass881.400 Da
  • Monoisotopic mass880.752014 Da
  • ChemSpider ID24768245

  • Double-bond stereo - Double-bond stereo

More details:

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

(9Z,12Z,9'Z,12'Z)Bis(-9,12-octadécadiénoate) de 2-[(11Z)-11-octadecenoyloxy]-1,3-propanediyle [French] [ACD/IUPAC Name]
2-[(11Z)-11-Octadecenoyloxy]-1,3-propandiyl-(9Z,12Z,9'Z,12'Z)bis(-9,12-octadecadienoat) [German] [ACD/IUPAC Name]
2-[(11Z)-11-Octadecenoyloxy]-1,3-propanediyl (9Z,12Z,9'Z,12'Z)bis(-9,12-octadecadienoate) [ACD/IUPAC Name]
9,12-Octadecadienoic acid, 2-[[(11Z)-1-oxo-11-octadecen-1-yl]oxy]-1,3-propanediyl ester, (9Z,12Z,9'Z,12'Z)- [ACD/Index Name]
TG(18:2(9Z,12Z)/18:1(11Z)/18:2(9Z,12Z))[iso3]
1-Linoleoyl-2-vaccenoyl-3-linoleoyl-glycerol
2-[(11Z)-octadec-11-enoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl (9Z,12Z)-octadeca-9,12-dienoate
TAG(18:2/18:1/18:2)
TAG(18:2n6/18:1n7/18:2n6)
TAG(18:2w6/18:1w7/18:2w6)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.9±0.1 g/cm3
Boiling Point: 817.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.8±3.0 kJ/mol
Flash Point: 302.9±32.9 °C
Index of Refraction: 1.485
Molar Refractivity: 271.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 51
#Rule of 5 Violations: 2
ACD/LogP: 22.68
ACD/LogD (pH 5.5): 19.88
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 19.88
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: 35.1±3.0 dyne/cm
Molar Volume: 948.3±3.0 cm3

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