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300-38-9

300-38-9 structural image
Product Name: 3,5-Dibromo-L-tyrosine
Formula: C9H9Br2NO3
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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.