ChemSpider 2D Image | TG(16:1(9Z)/18:2(9Z,12Z)/18:2(9Z,12Z))[iso3] | C55H96O6

TG(16:1(9Z)/18:2(9Z,12Z)/18:2(9Z,12Z))[iso3]

  • Molecular FormulaC55H96O6
  • Average mass853.347 Da
  • Monoisotopic mass852.720703 Da
  • ChemSpider ID7823078

  • 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)/18:2(9Z,12Z)/18:2(9Z,12Z))[iso3]
(9Z,12Z,9'Z,12'Z)Bis(-9,12-octadécadiénoate) de 3-[(9Z)-9-hexadecenoyloxy]-1,2-propanediyle [French] [ACD/IUPAC Name]
3-[(9Z)-9-Hexadecenoyloxy]-1,2-propandiyl-(9Z,12Z,9'Z,12'Z)bis(-9,12-octadecadienoat) [German] [ACD/IUPAC Name]
3-[(9Z)-9-Hexadecenoyloxy]-1,2-propanediyl (9Z,12Z,9'Z,12'Z)bis(-9,12-octadecadienoate) [ACD/IUPAC Name]
9,12-Octadecadienoic acid, 1-[[[(9Z)-1-oxo-9-hexadecen-1-yl]oxy]methyl]-1,2-ethanediyl ester, (9Z,12Z,9'Z,12'Z)- [ACD/Index Name]
(2R)-1-[(9Z)-hexadec-9-enoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propan-2-yl (9Z,12Z)-octadeca-9,12-dienoate
1-(9Z-hexadecenoyl)-2,3-di-(9Z,12Z-octadecadienoyl)-sn-glycerol
1-Palmitoleoyl-2-linoleoyl-3-linoleoyl-glycerol
TAG(16:1/18:2/18:2)
TAG(16:1n7/18:2n6/18:2n6)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

EPA Pesticide Chemical Code 079011 [DBID]
LMGL03010163 [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: 799.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.3±3.0 kJ/mol
Flash Point: 298.7±32.9 °C
Index of Refraction: 1.485
Molar Refractivity: 262.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 49
#Rule of 5 Violations: 2
ACD/LogP: 21.61
ACD/LogD (pH 5.5): 18.96
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 18.96
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: 35.1±3.0 dyne/cm
Molar Volume: 915.3±3.0 cm3

Click to predict properties on the Chemicalize site


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