MI 658
[(1S,2R,4R)-2-azido-4-hydroxy-6-oxocyclohexyl] benzoate
Also Known As: MI 658|MI-658|(1s,2r,4r)-2-azido-4-hydroxy-6-oxocyclohexyl benzoate|P.I. 658|3-Azido-2-benzoyloxy-5-hydroxycyclohexanone|KST-1A9143|3,2-O-Benzoyl-3-azido-5-hydroxycyclohexanone|2-Azido-4-hydroxy-6-oxocyclohexyl benzoate|[(1S,2R,4R)-2-azido-4-hydroxy-6-oxocyclohexyl] benzoate|(2-azido-4-hydroxy-6-oxocyclohexyl) benzoate|J1.498.381C|Benzoic acid 4-hydroxy-6-oxo-cyclohex-1-enyl ester|Cyclohexanone, 3-azido-2-(benzoyloxy)-5-hydroxy-, (2S-(2alpha,3beta,5alpha))-|3alpha-Hydroxy-5beta-azido-6alpha-(benzoyloxy)cyclohexanone
| Molecular Formula | C13H13N3O4 |
|---|---|
| Molecular Weight | 275.0906 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 78.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 275.0906 |
| Monoisotopic Mass | 275.0906 |
| Heavy Atoms | 20 |
| Complexity | 427.0 |
Chemical Identifiers
| CAS Number | 90146-07-9 |
|---|---|
| SMILES | C1[C@H](CC(=O)[C@H]([C@@H]1N=[N+]=[N-])OC(=O)C2=CC=CC=C2)O |
| InChIKey | QETWIHYFLBMVCZ-FOGDFJRCSA-N |
Product Overview
MI 658 (CAS 90146-07-9), with molecular formula C13H13N3O4 and molecular weight 275.0906 g/mol. IUPAC: [(1S,2R,4R)-2-azido-4-hydroxy-6-oxocyclohexyl] benzoate.
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