(1S,2R,4R)-2-Azido-4-Hydroxy-6-Oxocyclohexyl Benzoate

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Properties Simple | Detailed

Formula C13H13N3O4
IUPAC Name [(1s,2r,4r)-2-azido-4-hydroxy-6-oxo-cyclohexyl] benzoate
Molecular Mass 275.260 g·mol−1
Heat of Formation -291.7 ± 16.7 kJ·mol−1
Dipole Moment 3.01 ± 1.08 D
Volume 311.96 Å 3
Surface Area 277.94 Å 2
HOMO Energy -9.92 ± 0.55 eV
LUMO Energy 2.50 ± eV
Point Group Symmetry C1
Synonyms
  • 3,2-o-benzoyl-3-azido-5-hydroxycyclohexanone
  • 3-azido-2-benzoyloxy-5-hydroxycyclohexanone
  • [(1s,2r,4r)-2-azido-4-hydroxy-6-oxo-cyclohexyl] benzoate
  • [(1s,2r,4r)-2-azido-4-hydroxy-6-oxocyclohexyl] benzoate
  • benzoic acid [(1s,2r,4r)-2-azido-4-hydroxy-6-keto-cyclohexyl] ester
  • benzoic acid [(1s,2r,4r)-2-azido-4-hydroxy-6-oxocyclohexyl] ester
  • cyclohexanone, 3-azido-2-(benzoyloxy)-5-hydroxy-, (2s-(2alpha,3beta,5alpha))-
  • mi 658
  • mi-658
  • p.i. 658
CAS Number(s)
  • 90146-07-9
InChIKey QETWIHYFLBMVCZ-FOGDFJRCSA-N
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