Basic information
- CAS
72889-62-4- Standard SMILES
CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CN=[N+]=[N-])CS[C@H]12)c1csc(N)n1.[Na+]- InChIKey
HZQKCIONPQFSNZ-BZHOPHKNSA-M- Molecular formula
- C14H13N8NaO5S2
- Average molar mass
- 460.4 g/mol
- Monoisotopic mass
- 460.03480217
Names & identifiers
- Preferred name
- Jzw7W84ljx
- IUPAC
- sodium (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(azidomethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Names & synonyms
JZW7W84LJXRo 40-6890 sodiumRo-40-6890 sodium5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-3-(azidomethyl)-8-oxo-, monosodium salt, [6R-[6alpha,7beta(Z)]]-5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2Z)-(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-3-(azidomethyl)-8-oxo-, monosodium salt, (6R,7R)-Sodium,(6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(azidomethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Database identifiers
- CAS
72889-62-4- PubChem CID
- 5488530
- UNII
- JZW7W84LJX
Properties
Computed structural properties
- Topological polar surface area
- 218 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 836
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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