Basic information
- CAS
41863-47-2- Standard SMILES
NC(Cc1ccc(OP(=O)(O)O)cc1)C(=O)O- InChIKey
DCWXELXMIBXGTH-UHFFFAOYSA-N- Molecular formula
- C9H12NO6P
- Average molar mass
- 261.17 g/mol
- Monoisotopic mass
- 261.0402241
Overview
O(4)-phosphotyrosine is a non-proteinogenic alpha-amino acid that is tyrosine phosphorylated at the phenolic hydroxy group. It is an O-phosphoamino acid, an aromatic amino acid, a tyrosine derivative and a non-proteinogenic alpha-amino acid. It is a conjugate acid of an O(4)-phosphonatotyrosine(2-).
Names & identifiers
- Preferred name
- O-phosphonotyrosine
- IUPAC
- 2-amino-3-(4-phosphonooxyphenyl)propanoic acid
- English name
- O-Phospho-DL-tyrosine)
- Molecular formula
- C9H12NO6P
- Molecular weight
- 261.17
Names & synonyms
41863-47-2O-PHOSPHO-DL-TYROSINEO-phosphonotyrosineO(4)-phosphotyrosineO-PHOSPHO-DL-TYROSINE)H-Tyr(POH)-OH2-Amino-3-(4-(phosphonooxy)phenyl)propanoic acidCHEMBL3105652-amino-3-(4-phosphonooxyphenyl)propanoic acid2-Amino-3-(4-phosphonooxy-phenyl)-propionic acidC9H12NO6P4-(phosphonooxy)phenylalanine
Show more names
Tyrosine, O-phosphono-DL-3-(4-Hydroxyphenyl)alanine 4′-phosphate
SCHEMBL273663CHEBI:74956DTXSID00865015DTXSID50404615IEA32125BDBM50080265Q27145036(R)-2-Amino-3-(4-phosphonooxy-phenyl)-propionic acid D-phosphotyrosine
Database identifiers
- CAS
41863-47-2- PubChem CID
- 4589477
- DTXSID
DTXSID50404615- ChEMBL
CHEMBL310565- ChEBI
CHEBI:74956- Nikkaji
- J1.681.592F
Properties
Computed structural properties
- XLogP
- -2.8
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 309
Physicochemical properties
- Boiling point
- 521.7 · 521.7±60.0 °C(Predicted)
- Density
- 1.591 · 1.591±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- pka
- 1.24 · 1.24±0.30(Predicted)
Chemistry & industry
Suppliers1 total
SIGMAALDRICH—
Additional notes
DefinitionChEBI: A non-proteinogenic alpha-amino acid that is tyrosine phosphorylated at the phenolic hydroxy group.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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