ChemSpider 2D Image | TG(16:0/16:1(9Z)/16:1(9Z))[iso3] | C51H94O6

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

  • Molecular FormulaC51H94O6
  • Average mass803.289 Da
  • Monoisotopic mass802.705017 Da
  • ChemSpider ID7822937

  • 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(16:0/16:1(9Z)/16:1(9Z))[iso3]
(9Z,9'Z)Bis(-9-hexadécénoate) de 3-(palmitoyloxy)-1,2-propanediyle [French] [ACD/IUPAC Name]
3-(Palmitoyloxy)-1,2-propandiyl-(9Z,9'Z)bis(-9-hexadecenoat) [German] [ACD/IUPAC Name]
3-(Palmitoyloxy)-1,2-propanediyl (9Z,9'Z)bis(-9-hexadecenoate) [ACD/IUPAC Name]
9-Hexadecenoic acid, 1-[[(1-oxohexadecyl)oxy]methyl]-1,2-ethanediyl ester, (9Z,9'Z)- [ACD/Index Name]
(2R)-1-[(9Z)-hexadec-9-enoyloxy]-3-(hexadecanoyloxy)propan-2-yl (9Z)-hexadec-9-enoate
1-hexadecanoyl-2,3-di-(9Z-hexadecenoyl)-sn-glycerol
1-Palmitoyl-2-palmitoleoyl-3-palmitoleoyl-glycerol
TAG(16:0/16:1/16:1)
TAG(16:0/16:1n7/16:1n7)
More...

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

EPA Pesticide Chemical Code 079011 [DBID]
LMGL03010018 [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: 766.6±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.6±3.0 kJ/mol
Flash Point: 289.5±27.4 °C
Index of Refraction: 1.473
Molar Refractivity: 243.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 48
#Rule of 5 Violations: 2
ACD/LogP: 21.04
ACD/LogD (pH 5.5): 19.53
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 19.53
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 96.6±0.5 10-24cm3
Surface Tension: 34.7±3.0 dyne/cm
Molar Volume: 868.4±3.0 cm3

Click to predict properties on the Chemicalize site


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