ChemSpider 2D Image | (2S)-3-Hydroxy-1,2-propanediyl didocosanoate | C47H92O5

(2S)-3-Hydroxy-1,2-propanediyl didocosanoate

  • Molecular FormulaC47H92O5
  • Average mass737.230 Da
  • Monoisotopic mass736.694458 Da
  • ChemSpider ID7822873

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-3-Hydroxy-1,2-propandiyl-didocosanoat [German] [ACD/IUPAC Name]
(2S)-3-Hydroxy-1,2-propanediyl didocosanoate [ACD/IUPAC Name]
Didocosanoate de (2S)-3-hydroxy-1,2-propanediyle [French] [ACD/IUPAC Name]
Docosanoic acid, (1S)-1-(hydroxymethyl)-1,2-ethanediyl ester [ACD/Index Name]
(2S)-1-(docosanoyloxy)-3-hydroxypropan-2-yl docosanoate
(3-docosanoyloxy-2-hydroxypropyl) docosanoate
(3-docosanoyloxy-2-hydroxy-propyl) docosanoate
[(1S)-1-(docosanoyloxymethyl)-2-hydroxy-ethyl] docosanoate
[(2S)-1-docosanoyloxy-3-hydroxypropan-2-yl] docosanoate
[(2S)-1-docosanoyloxy-3-hydroxy-propan-2-yl] docosanoate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

LMGL02010258 [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: 739.8±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 123.2±6.0 kJ/mol
Flash Point: 194.3±17.2 °C
Index of Refraction: 1.468
Molar Refractivity: 224.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 46
#Rule of 5 Violations: 2
ACD/LogP: 20.72
ACD/LogD (pH 5.5): 18.70
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 18.70
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 89.1±0.5 10-24cm3
Surface Tension: 34.8±3.0 dyne/cm
Molar Volume: 809.2±3.0 cm3

Click to predict properties on the Chemicalize site


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