ChemSpider 2D Image | (2S)-2,3-Dihydroxypropyl docosanoate | C25H50O4

(2S)-2,3-Dihydroxypropyl docosanoate

  • Molecular FormulaC25H50O4
  • Average mass414.662 Da
  • Monoisotopic mass414.370911 Da
  • ChemSpider ID24765799

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2,3-Dihydroxypropyl docosanoate [ACD/IUPAC Name]
(2S)-2,3-Dihydroxypropyl-docosanoat [German] [ACD/IUPAC Name]
Docosanoate de (2S)-2,3-dihydroxypropyle [French] [ACD/IUPAC Name]
Docosanoic acid, (2S)-2,3-dihydroxypropyl ester [ACD/Index Name]
(3-docosanoyloxy-2-hydroxypropyl) docosanoate
(3-docosanoyloxy-2-hydroxy-propyl) docosanoate
1-Behenoyl-glycerol
1-Docosanoyl-rac-glycerol
1-Monoacylglyceride
1-Monoacylglycerol
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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: 525.8±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 92.0±6.0 kJ/mol
Flash Point: 161.3±18.1 °C
Index of Refraction: 1.470
Molar Refractivity: 122.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 1
ACD/LogP: 9.35
ACD/LogD (pH 5.5): 8.74
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1355914.13
ACD/LogD (pH 7.4): 8.74
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1355912.63
Polar Surface Area: 67 Å2
Polarizability: 48.6±0.5 10-24cm3
Surface Tension: 36.6±3.0 dyne/cm
Molar Volume: 440.1±3.0 cm3

Click to predict properties on the Chemicalize site


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