ChemSpider 2D Image | (2S)-1-(Docosanoyloxy)-3-hydroxy-2-propanyl tetracosanoate | C49H96O5

(2S)-1-(Docosanoyloxy)-3-hydroxy-2-propanyl tetracosanoate

  • Molecular FormulaC49H96O5
  • Average mass765.284 Da
  • Monoisotopic mass764.725769 Da
  • ChemSpider ID24766288

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-1-(Docosanoyloxy)-3-hydroxy-2-propanyl tetracosanoate [ACD/IUPAC Name]
(2S)-1-(Docosanoyloxy)-3-hydroxy-2-propanyl-tetracosanoat [German] [ACD/IUPAC Name]
Tétracosanoate de (2S)-1-(docosanoyloxy)-3-hydroxy-2-propanyle [French] [ACD/IUPAC Name]
Tetracosanoic acid, (1S)-2-hydroxy-1-[[(1-oxodocosyl)oxy]methyl]ethyl ester [ACD/Index Name]
(2S)-1-(docosanoyloxy)-3-hydroxypropan-2-yl tetracosanoate
1-Behenoyl-2-lignoceroyl-sn-glycerol
DAG(22:0/24:0)
DAG(46:0)
DG(22:0/24:0)
DG(22:0/24:0/0:0)
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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: 758.2±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 126.0±6.0 kJ/mol
Flash Point: 197.1±17.2 °C
Index of Refraction: 1.468
Molar Refractivity: 234.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 48
#Rule of 5 Violations: 2
ACD/LogP: 21.78
ACD/LogD (pH 5.5): 19.61
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 19.61
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 92.8±0.5 10-24cm3
Surface Tension: 34.8±3.0 dyne/cm
Molar Volume: 842.2±3.0 cm3

Click to predict properties on the Chemicalize site


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