Basic information
- Standard SMILES
COCC1=C(C(=O)O)N2C(=O)C(NC(=O)COc3ccccc3)[C@H]2SC1- InChIKey
XBITWWWARBSGDB-FQNRMIAFSA-N- Molecular formula
- C17H18N2O6S
- Average molar mass
- 378.4 g/mol
Names & identifiers
- Preferred name
- 3-Methoxymethyl-7-phenoxyacetamido-3-cephem-4-carboxylic acid
- IUPAC
- (6R)-3-(methoxymethyl)-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Names & synonyms
SCHEMBL11051930XBITWWWARBSGDB-FQNRMIAFSA-N3-methoxymethyl-7-phenoxyacetamido-3-cephem-4-carboxylic acid
Database identifiers
- PubChem CID
- 15917684
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 616
Related reactions
5 records
Compound notes
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