Basic information
- CAS
756803-96-0- Standard SMILES
C[C@H](O)[C@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S(=O)(=O)[C@H]12- InChIKey
JWBKZXUHEFRKRV-VUBPFVNUSA-N- Molecular formula
- C10H15NO6S
- Average molar mass
- 277.3 g/mol
- Monoisotopic mass
- 277.06200837
Names & identifiers
- Preferred name
- (2S,5R,6S)-6-[(1S)-1-hydroxyethyl]-3,3-dimethyl-4,4,7-trioxo-4lambda6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
- IUPAC
- (2S,5R,6S)-6-[(1S)-1-hydroxyethyl]-3,3-dimethyl-4,4,7-trioxo-4λ6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Names & synonyms
CHEMBL1206036DTXSID001104603756803-96-0(2S,5R,6S)a6a[(1S)a1aHydroxyethyl]a3,3adimethyla 4,4,7atrioxoa4lambda6athiaa1a azabicyclo[3.2.0]heptanea2acarboxylic acid
Database identifiers
- CAS
756803-96-0- PubChem CID
- 15537795
- DTXSID
DTXSID001104603- ChEMBL
CHEMBL1206036
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 519
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…