ChemSpider 2D Image | 2-Methyl-2-propanyl (8R,8aS)-8-[(2-methoxyethoxy)methoxy]-3-oxo-7-(phenylselanyl)-2,3,6,7,8,8a-hexahydro-1H-oxepino[4,3-b]pyrrole-1-carboxylate | C23H31NO7Se

2-Methyl-2-propanyl (8R,8aS)-8-[(2-methoxyethoxy)methoxy]-3-oxo-7-(phenylselanyl)-2,3,6,7,8,8a-hexahydro-1H-oxepino[4,3-b]pyrrole-1-carboxylate

  • Molecular FormulaC23H31NO7Se
  • Average mass512.455 Da
  • Monoisotopic mass513.126587 Da
  • ChemSpider ID20580050

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(8R,8aS)-8-[(2-Méthoxyéthoxy)méthoxy]-3-oxo-7-(phénylsélanyl)-2,3,6,7,8,8a-hexahydro-1H-oxépino[4,3-b]pyrrole-1-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1H-Oxepino[4,3-b]pyrrole-1-carboxylic acid, 2,3,6,7,8,8a-hexahydro-8-[(2-methoxyethoxy)methoxy]-3-oxo-7-(phenylseleno)-, 1,1-dimethylethyl ester, (8R,8aS)- [ACD/Index Name]
2-Methyl-2-propanyl (8R,8aS)-8-[(2-methoxyethoxy)methoxy]-3-oxo-7-(phenylselanyl)-2,3,6,7,8,8a-hexahydro-1H-oxepino[4,3-b]pyrrole-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(8R,8aS)-8-[(2-methoxyethoxy)methoxy]-3-oxo-7-(phenylselanyl)-2,3,6,7,8,8a-hexahydro-1H-oxepino[4,3-b]pyrrol-1-carboxylat [German] [ACD/IUPAC Name]

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

Density:
Boiling Point: 595.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.7±3.0 kJ/mol
Flash Point: 314.0±30.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.23
ACD/LogD (pH 5.5): 2.83
ACD/BCF (pH 5.5): 83.36
ACD/KOC (pH 5.5): 825.36
ACD/LogD (pH 7.4): 2.83
ACD/BCF (pH 7.4): 83.36
ACD/KOC (pH 7.4): 825.36
Polar Surface Area: 84 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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