Einecs 248-723-2
Basic information
- CAS
27910-26-5- Standard SMILES
CC(=O)OCC1=C(C(=O)O)N2C(=O)C(NC(=O)C(O)c3ccccc3)C2SC1- InChIKey
CNAGMNMBHMQZPF-UHFFFAOYSA-N- Molecular formula
- C18H18N2O7S
- Average molar mass
- 406.4 g/mol
- Monoisotopic mass
- 406.08347209
Names & identifiers
- Preferred name
- Einecs 248-723-2
- IUPAC
- 3-(acetyloxymethyl)-7-[(2-hydroxy-2-phenylacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Names & synonyms
27910-26-5EINECS 248-723-2EINECS 257-448-7NS00049209(6R-(6alpha,7beta(R*)))-3-(Acetoxymethyl)-7-(hydroxyphenylacetamido)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid(6R-(6alpha,7beta))-3-(Acetoxymethyl)-7-(hydroxyphenylacetamido)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid
Database identifiers
- CAS
27910-26-5、51818-85-0- PubChem CID
- 103548
- EC Number
- 248-723-2
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 159 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 717
Experimental & physicochemical properties
LogP-0.44
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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