Sodium (2S-cis)-6,6-dibromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Basic information
- CAS
76454-48-3- Standard SMILES
CC1(C)S[C@H]2N(C(=O)C2(Br)Br)[C@H]1C(=O)[O-].[Na+]- InChIKey
XWUDUANQIPYTLG-KQRLMAEXSA-M- Molecular formula
- C8H8Br2NNaO3S
- Average molar mass
- 381.02 g/mol
- Monoisotopic mass
- 378.84893
Names & identifiers
- Preferred name
- Sodium (2S-cis)-6,6-dibromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
- IUPAC
- sodium (2S,5R)-6,6-dibromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
- English name
- sodium (2S-cis)-6,6-dibromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
- Molecular formula
- C8H10Br2NNaO3S
- Molecular weight
- 383.03
Names & synonyms
76454-48-3EINECS 278-469-8Sodium (2S-cis)-6,6-dibromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylateDTXSID40227259SODIUM (2S-CIS)-6,6-DIBROMO-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLATERefChem:183512DTXCID90149750278-469-8SCHEMBL5981064XWUDUANQIPYTLG-KQRLMAEXSA-MNS00089500Sodium (2S,5R)-6,6-dibromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Show more names
(2S,5R)-6,6-Dibromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid sodium salt
Database identifiers
- CAS
76454-48-3- PubChem CID
- 44148271
- DTXSID
DTXSID40227259- EC Number
Properties
Computed structural properties
- Topological polar surface area
- 85.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 363
Chemistry & industry
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