AC1O55W1
(4-nitrophenyl)methyl (6R,7R)-7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Also Known As: EINECS 249-454-3|(4-nitrophenyl)methyl (6R,7R)-7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate|(6R,6beta)-7alpha-Amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester|p-Nitrobenzyl (6R-trans)-7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate|P-NITROBENZYL (6R-TRANS)-7-AMINO-3-METHYL-8-OXO-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLATE
| Molecular Formula | C15H15N3O5S |
|---|---|
| Molecular Weight | 349.07324 g/mol |
| LogP | 1.1544 |
| Topological Polar Surface Area | 115.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 349.07324 |
| Monoisotopic Mass | 349.07324 |
| Heavy Atoms | 24 |
| Complexity | 745.9813 |
Chemical Identifiers
| CAS Number | 29124-83-2 |
|---|---|
| SMILES | CC1=C(N2[C@@H]([C@@H](C2=O)N)SC1)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
AC1O55W1 (CAS 29124-83-2), with molecular formula C15H15N3O5S and molecular weight 349.07324 g/mol. IUPAC: (4-nitrophenyl)methyl (6R,7R)-7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate.