LY2812223

Chemical Information
a metabotropic glutamate receptor 2 agonist; structure in first source
| CAS Number | 1311385-20-2 |
| PubChem CID | 53240406 |
| IUPAC Name | (1R,2S,4R,5R,6R)-2-amino-4-(1H-1,2,4-triazol-5-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic acid |
| Molecular Formula | C10H12N4O4S |
| Molecular Weight | 284.29 |
| XLogP | -2.9 |
| Topological Polar Surface Area | 167 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 4 |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 436 |
| Property | Value |
|---|---|
| Molecular Weight | 284.29 |
| XLogP3 | -2.9 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 4 |
| Exact Mass | 284.05792605 |
| Monoisotopic Mass | 284.05792605 |
| Topological Polar Surface Area | 167 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 436 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 5 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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