3,5-dichloro-L-tyrosine

HCID 439986

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Basic information

CAS: 15106-62-4
Standard SMILES: N[C@@H](Cc1cc(Cl)c(O)c(Cl)c1)C(=O)O
InChIKey: MPHURJQUHZHALJ-ZETCQYMHSA-N
Molecular formula: C9H9Cl2NO3
Average molar mass: 250.08 g/mol
Monoisotopic mass: 248.9959485

Overview

3,5-dichloro-L-tyrosine is a chloroamino acid that is L-tyrosine carrying chloro- substituents at positions C-3 and C-5 of the benzyl group. It is a chloroamino acid, a dichlorobenzene, a dihalogenated L-tyrosine and a non-proteinogenic L-alpha-amino acid.

Names & identifiers

Preferred name: 3,5-dichloro-L-tyrosine
IUPAC: (2S)-2-amino-3-(3,5-dichloro-4-hydroxyphenyl)propanoic acid
English name: 3,5-Dichloro-L-tyrosine
Molecular formula: C9H9Cl2NO3
Molecular weight: 250.08

Names & synonyms

15106-62-43,5-Dichloro-L-tyrosineL-Tyrosine, 3,5-dichloro-N303G0Z9ARNSC-210501(2S)-2-amino-3-(3,5-dichloro-4-hydroxyphenyl)propanoic acidCHEBI:28016DTXSID40331461RefChem:91476DTXCID90282555(S)-2-Amino-3-(3,5-dichloro-4-hydroxyphenyl)propanoic acidH-Tyr(3,5-DiCl)-OH

Show more names

3,5-Dichloro-L-tyrosine USP/EP/BP(2S)-2-amino-3-(3,5-dichloro-4-hydroxyphenyl)propanoicaci

DiClYMFCD09842574UNII-N303G0Z9AREpitope ID:122961C03347H-Tyr(35-DiCl)-OHSCHEMBL2122000TYROSINE, 3,5-DICHLORO-

Database identifiers

CAS: 15106-62-4
PubChem CID: 439986
DTXSID: DTXSID40331461
ChEBI: CHEBI:28016
UNII: N303G0Z9AR
Nikkaji: J1.419.730C

Properties

Computed structural properties

XLogP: -0.5
Topological polar surface area: 83.6 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 227

Physicochemical properties

Melting point: 252 °C · 252 °C (decomp)
Boiling point: 392.5 · 392.5±42.0 °C(Predicted)
Density: 1.565 · 1.565±0.06 g/cm3(Predicted)
storage temp.: 2 · Storage temp. 2-8°C
form: Solid
pka: 2.17 · 2.17±0.30(Predicted)
color: White to off-white
FDA UNII: 303 G0Z9AR · N303G0Z9AR

Chemistry & industry

Applications

Uses(S)-2-Amino-3-(3,5-dichloro-4-hydroxyphenyl)propanoic acid is a tyrosine derivative[1].

Suppliers54 total

北京华美互利生物化工010-56205725 · [email protected]

江苏吉泰肽业科技有限公司18936337900 18936337900 · [email protected]

江苏生康迈翔科技有限公司18217475093 · [email protected]

合肥翰刚医药科技有限公司+8618062405514 · [email protected]

北京依凯诺医药技术开发有限公司18518619637 · [email protected]

Additional notes · 1 item

DefinitionChEBI: 3,5-dichloro-L-tyrosine is a chloroamino acid that is L-tyrosine carrying chloro- substituents at positions C-3 and C-5 of the benzyl group. It is a dihalogenated L-tyrosine, a dichlorobenzene, a non-proteinogenic L-alpha-amino acid and a chloroamino acid.

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