CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Collision Cross Section | 167.23 Ų [M+H]+ [CCS Type: DT, Method: stepped-field] |
COMPUTED DESCRIPTORS
| Molecular Weight | 289.29 g/mol |
|---|---|
| XLogP3 | -3.9 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 9 |
| Exact Mass | 289.12738533 g/mol |
| Monoisotopic Mass | 289.12738533 g/mol |
| Topological Polar Surface Area | 159 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 384 |
| 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
Ophthalmic acid is a L-glutamine derivative that is L-glutamine substituted by a 1-[(carboxymethyl)amino]-1-oxobutan-2-yl at the terminal amino nitrogen atom. It has a role as a biomarker and a human metabolite. It is a conjugate acid of an Ophthalmate.