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Phospho-L-Tyrosine
CAS: 21820-51-9 | C9H12NO6P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
21820-51-9
Molecular Formula:
C9H12NO6P
Molecular Mass:
261.17 g/mol
Names and Synonyms:
Phospho-L-Tyrosine
L-Tyrosine, O-phosphono-
Tyrosine, dihydrogen phosphate (ester), L-
L-Tyrosine, dihydrogen phosphate (ester)
Tyrosine, di-H phosphate
Tyrosine, phosphate
O-Phosphono-L-tyrosine
Tyrosine O-phosphate
O-Phospho-L-tyrosine
O-Phosphotyrosine
Phosphotyrosine
L-Phosphotyrosine
Phospho-L-tyrosine
L-Tyrosine-O-phosphate
(2S)-2-Amino-3-(4-phosphonooxyphenyl)propanoic acid
Identifiers:
SMILES:
N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)O
InChI:
InChI=1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1
Key Properties
Melting Point
225 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 261.17 g/mol | CAS Common Chemistry |
| 261.16999999999996 g/mol | RDKit | |
| 261.04022373400005 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C(N)CC1=CC=C(OP(=O)(O)O)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=DCWXELXMIBXGTH-QMMMGPOBSA-N | CAS Common Chemistry |
| Melting Point | 225 °C | CAS Common Chemistry |
| Name | Phospho-L-tyrosine | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 130.07999999999998 Ų | RDKit |
| LogP | 0.1125000000000001 | RDKit |
| Molar Refractivity | 58.42930000000001 | RDKit |
