ChemSpider 2D Image | TG(18:1(9Z)/14:0/18:2(9Z,12Z))[iso6] | C53H96O6

TG(18:1(9Z)/14:0/18:2(9Z,12Z))[iso6]

  • Molecular FormulaC53H96O6
  • Average mass829.326 Da
  • Monoisotopic mass828.720703 Da
  • ChemSpider ID24768223

  • 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,12Z)-9,12-Octadécadiénoate de 3-[(9Z)-9-octadecenoyloxy]-2-(tetradecanoyloxy)propyle [French] [ACD/IUPAC Name]
3-[(9Z)-9-Octadecenoyloxy]-2-(tetradecanoyloxy)propyl (9Z,12Z)-9,12-octadecadienoate [ACD/IUPAC Name]
3-[(9Z)-9-Octadecenoyloxy]-2-(tetradecanoyloxy)propyl-(9Z,12Z)-9,12-octadecadienoat [German] [ACD/IUPAC Name]
9,12-Octadecadienoic acid, 3-[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]-2-[(1-oxotetradecyl)oxy]propyl ester, (9Z,12Z)- [ACD/Index Name]
TG(18:1(9Z)/14:0/18:2(9Z,12Z))[iso6]
(2R)-3-[(9Z)-octadec-9-enoyloxy]-2-(tetradecanoyloxy)propyl (9Z,12Z)-octadeca-9,12-dienoate
1-Oleoyl-2-myristoyl-3-linoleoyl-glycerol
TAG(18:1/14:0/18:2)
TAG(18:1n9/14:0/18:2n6)
TAG(18:1w9/14:0/18:2w6)
More...

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

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): 20.00
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 20.00
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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