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

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Properties Simple | Detailed

Formula C14H19NO5S
IUPAC Name [(5s)-3-isopropyl-2-oxo-oxazolidin-5-yl]methyl 4-methylbenzenesulfonate
Molecular Mass 313.369 g·mol−1
Heat of Formation -857.2 ± 16.7 kJ·mol−1
Dipole Moment 4.66 ± 1.08 D
Volume 356.02 Å 3
Surface Area 283.82 Å 2
HOMO Energy -9.69 ± 0.55 eV
LUMO Energy -0.78 ± eV
Point Group Symmetry C1
Synonyms
  • 4-methylbenzenesulfonic acid [(5s)-3-isopropyl-2-keto-oxazolidin-5-yl]methyl ester
  • 4-methylbenzenesulfonic acid [(5s)-3-isopropyl-2-oxo-5-oxazolidinyl]methyl ester
  • [(5s)-2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl]methyl 4-methylbenzenesulfonate
  • [(5s)-3-isopropyl-2-oxo-oxazolidin-5-yl]methyl 4-methylbenzenesulfonate
InChIKey VSBCXARDKFKTHY-LBPRGKRZSA-N
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