ChemSpider 2D Image | TG(16:0/16:0/18:3(9Z,12Z,15Z))[iso3] | C53H96O6

TG(16:0/16:0/18:3(9Z,12Z,15Z))[iso3]

  • Molecular FormulaC53H96O6
  • Average mass829.326 Da
  • Monoisotopic mass828.720703 Da
  • ChemSpider ID7822972

  • 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,15Z)-9,12,15-Octadécatriénoate de 2,3-bis(palmitoyloxy)propyle [French] [ACD/IUPAC Name]
2,3-Bis(palmitoyloxy)propyl (9Z,12Z,15Z)-9,12,15-octadecatrienoate [ACD/IUPAC Name]
2,3-Bis(palmitoyloxy)propyl-(9Z,12Z,15Z)-9,12,15-octadecatrienoat [German] [ACD/IUPAC Name]
9,12,15-Octadecatrienoic acid, 2,3-bis[(1-oxohexadecyl)oxy]propyl ester, (9Z,12Z,15Z)- [ACD/Index Name]
TG(16:0/16:0/18:3(9Z,12Z,15Z))[iso3]
(2R)-2,3-bis(hexadecanoyloxy)propyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
1,2-dihexadecanoyl-3-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycerol
1-Palmitoyl-2-palmitoyl-3-a-linolenoyl-glycerol
1-Palmitoyl-2-palmitoyl-3-α-linolenoyl-glycerol
TAG(16:0/16:0/18:3)
More...

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

LMGL03010054 [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: 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: 21.42
ACD/LogD (pH 5.5): 19.77
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 19.77
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

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