TL;DR: Ampicillin & Clavulanic acid (CAS 121279-93-4) is a chemical compound with molecular formula C24H28N4O9S and molecular weight 548.1577 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,5R,6R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Also Known As: Ampicillin & Clavulanic acid, AMPI & CA, (2S,5R,6R)-6-[[(2R)-2-amino-2-phenyl-acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (2R,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, (2S,5R,6R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (2R,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 4-Oxa-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3-(2-hydroxyethylidene)-7-oxo-, (2R,3Z,5R)-, mixt. with (2S,5R,6R)-6-(((2R)-aminophenylacetyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid
| Molecular Formula | C24H28N4O9S |
| Molecular Weight | 548.1577 g/mol |
| XLogP | -0.7775 |
| Topological Polar Surface Area (TPSA) | 225.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 548.1577 Da |
| Heavy Atoms | 38 |
| Complexity | 885.0 |
| SMILES | CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)C(=O)O)C.C1[C@@H]2N(C1=O)[C@H](/C(=C/CO)/O2)C(=O)O |
| InChIKey | KLDUFCOPFLFOJI-AGNWQMPPSA-N |
The XLogP value of -0.7775 indicates that Ampicillin & Clavulanic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 225.0 Ų indicates high polarity, suggesting Ampicillin & Clavulanic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ampicillin & Clavulanic acid has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Ampicillin & Clavulanic acid is 121279-93-4.
The molecular formula of Ampicillin & Clavulanic acid is C24H28N4O9S.
The molecular weight of Ampicillin & Clavulanic acid is 548.1577 g/mol.
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