[(5R)-3-Isopropyl-2-Oxo-1,3-Oxazolidin-5-Yl]Methyl 4-Methylbenzenesulfonate

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Properties Simple | Detailed

Formula C14H19NO5S
IUPAC Name [(5r)-3-isopropyl-2-oxo-oxazolidin-5-yl]methyl 4-methylbenzenesulfonate
Molecular Mass 313.369 g·mol−1
Heat of Formation -857.3 ± 16.7 kJ·mol−1
Dipole Moment 4.68 ± 1.08 D
Volume 355.86 Å 3
Surface Area 283.55 Å 2
HOMO Energy -9.69 ± 0.55 eV
LUMO Energy 2.52 ± eV
Point Group Symmetry C1
Synonyms
  • 3-isopropyl-5-(4-toluenesulfonyloxymethyl)oxazolidin-2-one
  • 4-methylbenzenesulfonic acid [(5r)-3-isopropyl-2-keto-oxazolidin-5-yl]methyl ester
  • 4-methylbenzenesulfonic acid [(5r)-3-isopropyl-2-oxo-5-oxazolidinyl]methyl ester
  • [(5r)-2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl]methyl 4-methylbenzenesulfonate
  • [(5r)-3-isopropyl-2-oxo-oxazolidin-5-yl]methyl 4-methylbenzenesulfonate
  • itsomo
CAS Number(s)
  • 115744-13-3
InChIKey VSBCXARDKFKTHY-GFCCVEGCSA-N
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