CHEMICAL AND PHYSICAL PROPERTIES
| Collision Cross Section | 203.5 Ų [M+H]+ [CCS Type: TW, Method: calibrated with Waters Major Mix] |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 458.5 g/mol |
|---|---|
| XLogP3 | 0.7 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 6 |
| Exact Mass | 458.07186203 g/mol |
| Monoisotopic Mass | 458.07186203 g/mol |
| Topological Polar Surface Area | 190 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 806 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
(6R,7R)-3-[(4-carbamoyl-1-pyridin-1-iumyl)methyl]-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate is a cephalosporin.