Basic information
- CAS
473554-15-3- Standard SMILES
Cc1ccc(S(=O)(=O)N2[C@@H](C)[C@@H](c3ccccc3)O[S@]2=O)cc1- InChIKey
GFVLQDUEPBMSBN-UMLSUDCWSA-N- Molecular formula
- C16H17NO4S2
- Average molar mass
- 351.4 g/mol
- Monoisotopic mass
- 351.05990037
Names & identifiers
- Preferred name
- (2R,4S,5R)-4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyloxathiazolidine 2-oxide
- IUPAC
- (2R,4S,5R)-4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyloxathiazolidine 2-oxide
Names & synonyms
CTK4I9882473554-15-3DTXSID50461440(2R,4S,5R)-4-Methyl-3-(4-methylbenzene-1-sulfonyl)-5-phenyl-1,2lambda~4~,3-oxathiazolidin-2-one
Database identifiers
- CAS
473554-15-3- PubChem CID
- 11291087
- DTXSID
DTXSID50461440
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 91.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 531
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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