5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[[(5R)-5-amino-5-carboxy-1-oxopentyl]amino]-8-oxo-, zinc salt (1:1), (6R,7R)-
Properties
- Molecular formula
- C16H19N3O8SZn
- Molar mass
- 478.78 g/mol
- Exact mass
- 477.0184 Da
- logP
- -0.29Crippen estimate
- Polar surface area
- 179.8 Ų
- H-bond donors / acceptors
- 4 / 8
- Rotatable bonds
- 9
- Stereocentres
- R, R, Rin SMILES atom order
Hazards
Warning
- H317 May cause an allergic skin reaction100% of notifiers
Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, P501
Identifiers
CAS number
59143-60-1SMILES
CC(=O)OCC=1CS[C@@H]2[C@H](NC(=O)CCC[C@@H](N)C([O-])=O)C(=O)N2C1C([O-])=O.[Zn+2]InChI
The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.
Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[(5-amino-5-carboxy-1-oxopentyl)amino]-8-oxo-, zinc salt (1:1), [6R-[6α,7β(R*)]]-
Work with 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[[(5R)-5-amino-5-carboxy-1-oxopentyl]amino]-8-oxo-, zinc salt (1:1), (6R,7R)-
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Tanimoto similarity of circular fingerprints over the whole catalogue.