ChemSpider 2D Image | 1-Palmitoyl-2-palmitoyl-3-oleoyl-glycerol | C53H100O6

1-Palmitoyl-2-palmitoyl-3-oleoyl-glycerol

  • Molecular FormulaC53H100O6
  • Average mass833.357 Da
  • Monoisotopic mass832.752014 Da
  • ChemSpider ID13628573
  • 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

1-Palmitoyl-2-palmitoyl-3-oleoyl-glycerol
(2R)-2,3-bis(hexadecanoyloxy)propyl (9Z)-octadec-9-enoate
(9Z)-9-Octadécénoate de 2,3-bis(palmitoyloxy)propyle [French] [ACD/IUPAC Name]
2,3-Bis(palmitoyloxy)propyl (9Z)-9-octadecenoate [ACD/IUPAC Name]
2,3-Bis(palmitoyloxy)propyl-(9Z)-9-octadecenoat [German] [ACD/IUPAC Name]
9-Octadecenoic acid, 2,3-bis[(1-oxohexadecyl)oxy]propyl ester, (9Z)- [ACD/Index Name]
TG(16:0/16:0/18:1(9Z))
TG(16:0/16:0/18:1(9Z))[iso3]
1,2-dipalmitoyl-3-oleoyl-sn-glycerol
TAG(16:0/16:0/18:1)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

EPA Pesticide Chemical Code 079011 [DBID]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 782.6±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.9±3.0 kJ/mol
Flash Point: 292.9±24.6 °C
Index of Refraction: 1.469
Molar Refractivity: 252.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 51
#Rule of 5 Violations: 2
ACD/LogP: 22.62
ACD/LogD (pH 5.5): 21.50
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 21.50
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: 34.5±3.0 dyne/cm
Molar Volume: 907.8±3.0 cm3

Click to predict properties on the Chemicalize site






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