5-Hydroxymethylflucloxacillin
(2S,5R,6R)-6-[[3-(2-chloro-6-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
| Molecular Formula | C19H17ClFN3O6S |
|---|---|
| Molecular Weight | 469.9 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 158.0 A2 |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 469.05106 |
| Heavy Atoms | 31 |
| Complexity | 775.0 |
Chemical Identifiers
| CAS Number | 75524-31-1 |
|---|---|
| SMILES | CC1(C(N2C(S1)C(C2=O)NC(=O)C3=C(ON=C3C4=C(C=CC=C4Cl)F)CO)C(=O)O)C |
| InChIKey | ZUBWLMQDPXVIGD-JKIFEVAISA-N |
📖 Product Overview
5-Hydroxymethylflucloxacillin (CAS: 75524-31-1) is a chemical compound with molecular formula C19H17ClFN3O6S and molecular weight 469.9 g/mol. Its IUPAC systematic name is (2S,5R,6R)-6-[[3-(2-chloro-6-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
ZUBWLMQDPXVIGD-JKIFEVAISA-N.
SMILES: CC1(C(N2C(S1)C(C2=O)NC(=O)C3=C(ON=C3C4=C(C=CC=C4Cl)F)CO)C(=O)O)C.
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