Basic information
- Standard SMILES
NC1C(=O)N2C(C(=O)O)=C(C=O)CS[C@H]12- InChIKey
TWAHQTDAFGRKLL-HWZXHQHMSA-N- Molecular formula
- C8H8N2O4S
- Average molar mass
- 228.23 g/mol
Names & identifiers
- Preferred name
- 7-Amino-3-formyl-3-cephem-4-carboxylic acid
- IUPAC
- (6R)-7-amino-3-formyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Names & synonyms
SCHEMBL1132035TWAHQTDAFGRKLL-HWZXHQHMSA-N7-amino-3-formyl-3-cephem-4-carboxylic acid
Database identifiers
- PubChem CID
- 87203762
Properties
Computed structural properties
- XLogP
- -3.9
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 392
Related reactions
11 records
Linked notes
Loading…