CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | >50.8 [ug/mL] (The mean of the results at pH 7.4) |
|---|---|
| Collision Cross Section | 155.6 Ų [M-H]- [CCS Type: DT, Method: stepped-field] |
COMPUTED DESCRIPTORS
| Molecular Weight | 338.98 g/mol |
|---|---|
| XLogP3 | -0.4 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 338.89287 g/mol |
| Monoisotopic Mass | 336.89492 g/mol |
| Topological Polar Surface Area | 83.6 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 227 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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
3,5-dibromo-L-tyrosine is a bromoamino acid that is L-tyrosine carrying bromo- substituents at positions C-3 and C-5 of the benzyl group. It has a role as an antithyroid drug and a human xenobiotic metabolite. It is a dihalogenated L-tyrosine, a non-proteinogenic L-alpha-amino acid and a bromoamino acid.