(6R,7R)-7-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-8-oxo-3-[[1-(sulfomethyl)tetrazol-5-yl]sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

CAS: 61270-58-4

Molecular Formula	`C18H18N6O8S3`
Molecular Weight	542.6 g/mol
LogP	-1.9
Topological Polar Surface Area	264.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	13
Rotatable Bonds	9
Exact Mass	542.03485
Heavy Atoms	35
Complexity	999.0

Chemical Identifiers

CAS Number	61270-58-4
SMILES	`C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)O)C(=O)O)CSC4=NN=NN4CS(=O)(=O)O`
InChIKey	`DYAIAHUQIPBDIP-AXAPSJFSSA-N`

📖 Product Overview

(6R,7R)-7-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-8-oxo-3-[[1-(sulfomethyl)tetrazol-5-yl]sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (CAS: 61270-58-4) is a chemical compound with molecular formula C18H18N6O8S3 and molecular weight 542.6 g/mol. Its IUPAC systematic name is (6R,7R)-7-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-8-oxo-3-[[1-(sulfomethyl)tetrazol-5-yl]sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid. LogP -1.9 Topological Polar Surface Area 264.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 13 Rotatable Bonds 9 Exact Mass 542.03485 Heavy Atoms 35 Complexity 999.0 InChI Key: DYAIAHUQIPBDIP-AXAPSJFSSA-N. SMILES: C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)O)C(=O)O)CSC4=NN=NN4CS(=O)(=O)O.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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