3,5-Dichlorotyrosine
Basic information
- CAS
15106-62-4- Standard SMILES
NC(Cc1cc(Cl)c(O)c(Cl)c1)C(=O)O- InChIKey
MPHURJQUHZHALJ-UHFFFAOYSA-N- Molecular formula
- C9H9Cl2NO3
- Average molar mass
- 250.08 g/mol
- Monoisotopic mass
- 248.9959485
Names & identifiers
- Preferred name
- 3,5-Dichlorotyrosine
- IUPAC
- 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
3387-87-9DTXSID601036244RefChem:910699DTXCID809640503,5-Dichlorotyrosine2-amino-3-(3,5-dichloro-4-hydroxyphenyl)propanoic acidTyrosine, 3,5-DichloroSCHEMBL2121998NSC210501AKOS015891266PD197165DB-346688
Show more names
(S)-2-AMino-3-(3,5-dichloro-4-hydroxyphenyl)propanoic acidL-Tyrosine, 3,5-dichloro-3,5-Dichloro-L-tyrosine USP/EP/BP(2S)-2-amino-3-(3,5-dichloro-4-hydroxyphenyl)propanoicaci(2S)-2-amino-3-(3,5-dichloro-4-hydroxyphenyl)propanoic acid
2-amino-3-(3,5-dichloro-4-hydroxy-phenyl)propanoic acid
Database identifiers
- CAS
15106-62-4、3387-87-9- PubChem CID
- 308648
- DTXSID
DTXSID601036244
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 83.6 Ų
- 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].
Additional notes
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.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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