ChemSpider 2D Image | TG(16:1(9Z)/20:0/20:0)[iso3] | C59H112O6

TG(16:1(9Z)/20:0/20:0)[iso3]

  • Molecular FormulaC59H112O6
  • Average mass917.517 Da
  • Monoisotopic mass916.845886 Da
  • ChemSpider ID7823291

  • 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(16:1(9Z)/20:0/20:0)[iso3]
3-[(9Z)-9-Hexadecenoyloxy]-1,2-propandiyl-diicosanoat [German] [ACD/IUPAC Name]
3-[(9Z)-9-Hexadecenoyloxy]-1,2-propanediyl diicosanoate [ACD/IUPAC Name]
Diicosanoate de 3-[(9Z)-9-hexadecenoyloxy]-1,2-propanediyle [French] [ACD/IUPAC Name]
Eicosanoic acid, 1-[[[(9Z)-1-oxo-9-hexadecen-1-yl]oxy]methyl]-1,2-ethanediyl ester [ACD/Index Name]
(2S)-1-[(9Z)-hexadec-9-enoyloxy]-3-(icosanoyloxy)propan-2-yl icosanoate
1-(9Z-hexadecenoyl)-2,3-dieicosanoyl-sn-glycerol
1-Arachidonyl-2-arachidonyl-3-palmitoleoyl-glycerol
1-Eicosanoyl-2-eicosanoyl-3-(9Z-hexadecenoyl)-glycerol
1-Palmitoleoyl-2-arachidonyl-3-arachidonyl-glycerol
More...

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

EPA Pesticide Chemical Code 079011 [DBID]
LMGL03010378 [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: 834.6±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 121.3±3.0 kJ/mol
Flash Point: 305.5±26.0 °C
Index of Refraction: 1.470
Molar Refractivity: 280.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 57
#Rule of 5 Violations: 2
ACD/LogP: 25.81
ACD/LogD (pH 5.5): 24.02
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 24.02
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 111.3±0.5 10-24cm3
Surface Tension: 34.4±3.0 dyne/cm
Molar Volume: 1006.9±3.0 cm3

Click to predict properties on the Chemicalize site


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