CHEMICAL AND PHYSICAL PROPERTIES
Solubility | >50.8 [ug/mL] (The mean of the results at pH 7.4) |
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Collision Cross Section | 155.6 Ų [M-H]- [CCS Type: DT, Method: stepped-field] |
COMPUTED DESCRIPTORS
Molecular Weight | 338.98 g/mol |
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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.