3,5-Dibromo-L-tyrosine

• CAS: 300-38-9
• Catalog Number: ACM300389
• Category: Bromine Series

Custom Q&A

What is the molecular formula of 3,5-dibromo-L-tyrosine?

The molecular formula of 3,5-dibromo-L-tyrosine is C9H9Br2NO3.

What is the molecular weight of 3,5-dibromo-L-tyrosine?

The molecular weight of 3,5-dibromo-L-tyrosine is 338.98 g/mol.

What is the IUPAC name of 3,5-dibromo-L-tyrosine?

The IUPAC name of 3,5-dibromo-L-tyrosine is (2S)-2-amino-3-(3,5-dibromo-4-hydroxyphenyl)propanoic acid.

What is the InChI of 3,5-dibromo-L-tyrosine?

The InChI of 3,5-dibromo-L-tyrosine is 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.

What is the InChIKey of 3,5-dibromo-L-tyrosine?

The InChIKey of 3,5-dibromo-L-tyrosine is COESHZUDRKCEPA-ZETCQYMHSA-N.

What is the canonical SMILES of 3,5-dibromo-L-tyrosine?

The canonical SMILES of 3,5-dibromo-L-tyrosine is C1=C(C=C(C(=C1Br)O)Br)CC(C(=O)O)N.

How many hydrogen bond donor counts are there in 3,5-dibromo-L-tyrosine?

There are 3 hydrogen bond donor counts in 3,5-dibromo-L-tyrosine.

How many hydrogen bond acceptor counts are there in 3,5-dibromo-L-tyrosine?

There are 4 hydrogen bond acceptor counts in 3,5-dibromo-L-tyrosine.

How many rotatable bond counts are there in 3,5-dibromo-L-tyrosine?

There are 3 rotatable bond counts in 3,5-dibromo-L-tyrosine.

What is the topological polar surface area (TPSA) of 3,5-dibromo-L-tyrosine?

The topological polar surface area (TPSA) of 3,5-dibromo-L-tyrosine is 83.6Ų.

Synthetic Use

Upstream Synthesis Route 1

• 60-18-4

• 300-38-9
• 38739-13-8

Reference: [1] Chemical and Pharmaceutical Bulletin, 2006, vol. 54, # 12, p. 1715 - 1719

Upstream Synthesis Route 2

• 60-18-4

• 300-38-9

Reference: [1]Gao, Hongfeng; Kelly, Michelle; Hamann, Mark T.
[Tetrahedron, 1999, vol. 55, # 32, p. 9717 - 9726]

Downstream Synthesis Route 1

• 300-38-9

• 17194-82-0

Reference: [1] Chemische Berichte, 1962, vol. 95, p. 2238 - 2242

Downstream Synthesis Route 2

• 300-38-9

• 67470-21-7

Reference: [1]Current Patent Assignee: GLAXOSMITHKLINE PLC - US4766121, 1988, A
[2]Current Patent Assignee: GLAXOSMITHKLINE PLC - EP188351, 1991, B1
[3]Doherty; Vaslow
[Journal of the American Chemical Society, 1952, vol. 74, p. 931,934]

Downstream Synthesis Route 3

• 300-38-9

• 111820-85-0

Reference: [1]Schmir et al.
[Journal of the American Chemical Society, 1959, vol. 81, p. 2228,2232]

* For details of the synthesis route, please refer to the original source to ensure accuracy.