ChemSpider 2D Image | TG(16:1(9Z)/16:1(9Z)/18:1(9Z))[iso3] | C53H96O6

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

  • Molecular FormulaC53H96O6
  • Average mass829.326 Da
  • Monoisotopic mass828.720703 Da
  • ChemSpider ID7822970
  • 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)/16:1(9Z)/18:1(9Z))[iso3]
(9Z)-9-Octadécénoate de 2,3-bis[(9Z)-9-hexadecenoyloxy]propyle [French] [ACD/IUPAC Name]
2,3-Bis[(9Z)-9-hexadecenoyloxy]propyl (9Z)-9-octadecenoate [ACD/IUPAC Name]
2,3-Bis[(9Z)-9-hexadecenoyloxy]propyl-(9Z)-9-octadecenoat [German] [ACD/IUPAC Name]
9-Octadecenoic acid, 2,3-bis[[(9Z)-1-oxo-9-hexadecen-1-yl]oxy]propyl ester, (9Z)- [ACD/Index Name]
(2R)-2,3-bis[(9Z)-hexadec-9-enoyloxy]propyl (9Z)-octadec-9-enoate
1,2-di-(9Z-hexadecenoyl)-3-(9Z-octadecenoyl)-sn-glycerol
1-Palmitoleoyl-2-palmitoleoyl-3-oleoyl-glycerol
TAG(16:1/16:1/18:1)
TAG(16:1n7/16:1n7/18:1n9)
More...

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

EPA Pesticide Chemical Code 079011 [DBID]
LMGL03010052 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.9±0.1 g/cm3
Boiling Point: 783.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.0±3.0 kJ/mol
Flash Point: 294.2±30.2 °C
Index of Refraction: 1.477
Molar Refractivity: 253.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 49
#Rule of 5 Violations: 2
ACD/LogP: 21.59
ACD/LogD (pH 5.5): 19.49
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 19.49
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 100.3±0.5 10-24cm3
Surface Tension: 34.8±3.0 dyne/cm
Molar Volume: 895.1±3.0 cm3

Click to predict properties on the Chemicalize site






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