ChemSpider 2D Image | 1-palmitoyl-3-stearoyl-sn-glycerol | C37H72O5

1-palmitoyl-3-stearoyl-sn-glycerol

  • Molecular FormulaC37H72O5
  • Average mass596.965 Da
  • Monoisotopic mass596.537964 Da
  • ChemSpider ID31150343

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-palmitoyl-3-stearoyl-sn-glycerol
2-Hydroxy-3-(palmitoyloxy)propyl stearate [ACD/IUPAC Name]
2-Hydroxy-3-(palmitoyloxy)propylstearat [German] [ACD/IUPAC Name]
Octadecanoic acid, 2-hydroxy-3-[(1-oxohexadecyl)oxy]propyl ester [ACD/Index Name]
Stéarate de 2-hydroxy-3-(palmitoyloxy)propyle [French] [ACD/IUPAC Name]
(2R)-2-hydroxy-3-(palmitoyloxy)propyl stearate
(2R)-3-(hexadecanoyloxy)2-hydroxypropyl octadecanoate
(2R)-3-(hexadecanoyloxy)-2-hydroxypropyl octadecanoate
1-hexadecanoyl-3-octadecanoyl-sn-glycerol
DAG(16:0/0:0/18:0)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

Density: 0.9±0.1 g/cm3
Boiling Point: 649.3±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 109.6±6.0 kJ/mol
Flash Point: 181.2±15.8 °C
Index of Refraction: 1.466
Molar Refractivity: 178.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 36
#Rule of 5 Violations: 2
ACD/LogP: 15.40
ACD/LogD (pH 5.5): 14.35
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 14.35
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 70.8±0.5 10-24cm3
Surface Tension: 35.1±3.0 dyne/cm
Molar Volume: 644.1±3.0 cm3

Click to predict properties on the Chemicalize site


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