ChemSpider 2D Image | TG(18:1(11Z)/16:1(9Z)/18:1(11Z))[iso3] | C55H100O6

TG(18:1(11Z)/16:1(9Z)/18:1(11Z))[iso3]

  • Molecular FormulaC55H100O6
  • Average mass857.379 Da
  • Monoisotopic mass856.752014 Da
  • ChemSpider ID24768216

  • Double-bond stereo - Double-bond stereo

More details:

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

(11Z,11'Z)Bis(-11-octadécénoate) de 2-[(9Z)-9-hexadecenoyloxy]-1,3-propanediyle [French] [ACD/IUPAC Name]
11-Octadecenoic acid, 2-[[(9Z)-1-oxo-9-hexadecen-1-yl]oxy]-1,3-propanediyl ester, (11Z,11'Z)- [ACD/Index Name]
2-[(9Z)-9-Hexadecenoyloxy]-1,3-propandiyl-(11Z,11'Z)bis(-11-octadecenoat) [German] [ACD/IUPAC Name]
2-[(9Z)-9-Hexadecenoyloxy]-1,3-propanediyl (11Z,11'Z)bis(-11-octadecenoate) [ACD/IUPAC Name]
TG(18:1(11Z)/16:1(9Z)/18:1(11Z))[iso3]
1-Vaccenoyl-2-palmitoleoyl-3-vaccenoyl-glycerol
2-[(9Z)-hexadec-9-enoyloxy]-3-[(11Z)-octadec-11-enoyloxy]propyl (11Z)-octadec-11-enoate
TAG(18:1/16:1/18:1)
TAG(18:1n7/16:1n7/18:1n7)
TAG(18:1w7/16:1w7/18:1w7)
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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: 798.7±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.1±3.0 kJ/mol
Flash Point: 297.5±24.6 °C
Index of Refraction: 1.477
Molar Refractivity: 262.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 51
#Rule of 5 Violations: 2
ACD/LogP: 22.65
ACD/LogD (pH 5.5): 19.87
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 19.87
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 104.0±0.5 10-24cm3
Surface Tension: 34.8±3.0 dyne/cm
Molar Volume: 928.1±3.0 cm3

Click to predict properties on the Chemicalize site


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