ChemSpider 2D Image | TG(18:1(11Z)/16:1(9Z)/18:1(9Z))[iso6] | C55H100O6

TG(18:1(11Z)/16:1(9Z)/18:1(9Z))[iso6]

  • Molecular FormulaC55H100O6
  • Average mass857.379 Da
  • Monoisotopic mass856.752014 Da
  • ChemSpider ID24768217

  • 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

(9Z)-9-Octadécénoate de 2-[(9Z)-9-hexadecenoyloxy]-3-[(11Z)-11-octadecenoyloxy]propyle [French] [ACD/IUPAC Name]
2-[(9Z)-9-Hexadecenoyloxy]-3-[(11Z)-11-octadecenoyloxy]propyl (9Z)-9-octadecenoate [ACD/IUPAC Name]
2-[(9Z)-9-Hexadecenoyloxy]-3-[(11Z)-11-octadecenoyloxy]propyl-(9Z)-9-octadecenoat [German] [ACD/IUPAC Name]
9-Octadecenoic acid, 2-[[(9Z)-1-oxo-9-hexadecen-1-yl]oxy]-3-[[(11Z)-1-oxo-11-octadecen-1-yl]oxy]propyl ester, (9Z)- [ACD/Index Name]
TG(18:1(11Z)/16:1(9Z)/18:1(9Z))[iso6]
(2R)-2-[(9Z)-hexadec-9-enoyloxy]-3-[(9Z)-octadec-9-enoyloxy]propyl (11Z)-octadec-11-enoate
1-Vaccenoyl-2-palmitoleoyl-3-oleoyl-glycerol
TAG(18:1/16:1/18:1)
TAG(18:1n7/16:1n7/18:1n9)
TAG(18:1w7/16:1w7/18:1w9)
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.9±0.1 g/cm3
Boiling Point: 801.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.5±3.0 kJ/mol
Flash Point: 298.5±28.8 °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): 20.35
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 20.35
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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