H-Tyr (3,5-Dibr) -OH

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CAS Number

300-38-9

Synonyms

(2S) -2-amino-3- (3,5-dibromo-4-hydroxyphenyl) propanoic acid

Purity

98%

Smiles

C1=C(C=C(C(=C1Br)O)Br)C[C@@H](C(=O)O)N

Chemical Information

3,5-dibromo-L-tyrosine

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 bromoamino acid, a dihalogenated L-tyrosine and a non-proteinogenic L-alpha-amino acid.

CAS Number	300-38-9
PubChem CID	67532
IUPAC Name	(2S)-2-amino-3-(3,5-dibromo-4-hydroxyphenyl)propanoic acid
Molecular Formula	C9H9Br2NO3
Molecular Weight	338.98
XLogP	-0.4
Topological Polar Surface Area	83.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	15
Formal Charge	0
Complexity	227

SMILES

C1=C(C=C(C(=C1Br)O)Br)C[C@@H](C(=O)O)N

InChI

InChI=1S/C9H9Br2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1

InChIKey

COESHZUDRKCEPA-ZETCQYMHSA-N

Chemical Structure

2D Structure

CAS: 300-38-9

CID: 67532

Formula: C9H9Br2NO3

MW: 338.98

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	338.98
XLogP3	-0.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	338.89287
Monoisotopic Mass	336.89492
Topological Polar Surface Area	83.6 Å²
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

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Alternative Products

Catalog	Name
5-04291	H-D-Tyr(3,5-DiBr)-OH·2H2O
F-1520.0005	H-3,5-Dibromo-Tyr-OH
F-2225.0100	H-3,5-Diiodo-Tyr-OH
5-04294	H-Tyr(3,5-DiI)-OH
5-04287	H-Tyr(3,5-DiCl)-OH
E-2385.0005	H-3,5-Diiodo-Tyr-OMe · HCl
F-3825.0001	H-3,5-Dibromo-D-Tyr-OH
451577-01	H-3,5-Diiodo-tyr-ome hcl
F-3350.0025	H-3-Iodo-Tyr-OH
GTR19158064-01	H-Tyr (3-I) -OH

H-Tyr (3,5-Dibr) -OH

Chemical Information

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Alternative Products

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