ChemSpider 2D Image | 1-{[(Cyclohexyloxy)carbonyl]oxy}ethyl (1R,5R,8aR,8bS)-1-[(1S)-1-hydroxyethyl]-5-methoxy-2-oxo-1,2,5,6,7,8,8a,8b-octahydroazeto[2,1-a]isoindole-4-carboxylate | C23H33NO8

1-{[(Cyclohexyloxy)carbonyl]oxy}ethyl (1R,5R,8aR,8bS)-1-[(1S)-1-hydroxyethyl]-5-methoxy-2-oxo-1,2,5,6,7,8,8a,8b-octahydroazeto[2,1-a]isoindole-4-carboxylate

  • Molecular FormulaC23H33NO8
  • Average mass451.510 Da
  • Monoisotopic mass451.220612 Da
  • ChemSpider ID111314389

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(1R,5R,8aR,8bS)-1-[(1S)-1-Hydroxyéthyl]-5-méthoxy-2-oxo-1,2,5,6,7,8,8a,8b-octahydroazéto[2,1-a]isoindole-4-carboxylate de 1-{[(cyclohexyloxy)carbonyl]oxy}éthyle [French] [ACD/IUPAC Name]
1-{[(Cyclohexyloxy)carbonyl]oxy}ethyl (1R,5R,8aR,8bS)-1-[(1S)-1-hydroxyethyl]-5-methoxy-2-oxo-1,2,5,6,7,8,8a,8b-octahydroazeto[2,1-a]isoindole-4-carboxylate [ACD/IUPAC Name]
1-{[(Cyclohexyloxy)carbonyl]oxy}ethyl-(1R,5R,8aR,8bS)-1-[(1S)-1-hydroxyethyl]-5-methoxy-2-oxo-1,2,5,6,7,8,8a,8b-octahydroazeto[2,1-a]isoindol-4-carboxylat [German] [ACD/IUPAC Name]
Azeto[2,1-a]isoindole-4-carboxylic acid, 1,2,5,6,7,8,8a,8b-octahydro-1-[(1S)-1-hydroxyethyl]-5-methoxy-2-oxo-, 1-[[(cyclohexyloxy)carbonyl]oxy]ethyl ester, (1R,5R,8aR,8bS)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 641.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.5±6.0 kJ/mol
Flash Point: 341.7±31.5 °C
Index of Refraction: 1.562
Molar Refractivity: 112.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 0.65
ACD/LogD (pH 5.5): 1.65
ACD/BCF (pH 5.5): 10.51
ACD/KOC (pH 5.5): 187.48
ACD/LogD (pH 7.4): 1.65
ACD/BCF (pH 7.4): 10.51
ACD/KOC (pH 7.4): 187.48
Polar Surface Area: 112 Å2
Polarizability: 44.6±0.5 10-24cm3
Surface Tension: 53.9±5.0 dyne/cm
Molar Volume: 346.7±5.0 cm3

Click to predict properties on the Chemicalize site


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