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D-Tyrosine
CAS: 556-02-5 | C9H11NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
556-02-5
Molecular Formula:
C9H11NO3
Molecular Mass:
181.19 g/mol
Names and Synonyms:
D-Tyrosine
D-Tyrosine
Tyrosine, D-
D-p-Tyrosine
(R)-Tyrosine
(2R)-2-Amino-3-(4-hydroxyphenyl)propanoic acid
H-D-Tyr-OH
D-Tyr-OH
3-(4-Hydroxyphenyl)-D-alanine
D-4-Hydroxyphenylalanine
(2R)-2-Azaniumyl-3-(4-hydroxyphenyl)propanoate
(R)-2-Amino-3-(4-hydroxyphenyl)propanoic acid
Identifiers:
SMILES:
N[C@H](Cc1ccc(O)cc1)C(=O)O
InChI:
InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m1/s1
Key Properties
Melting Point
294-300 °C (decomp)
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 | 181.19 g/mol | CAS Common Chemistry |
| 181.19099999999997 g/mol | RDKit | |
| 181.073893212 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C(N)CC1=CC=C(O)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=OUYCCCASQSFEME-MRVPVSSYSA-N | CAS Common Chemistry |
| Melting Point | 294-300 °C (decomp) | CAS Common Chemistry |
| Name | D-Tyrosine | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 83.55 Ų | RDKit |
| LogP | 0.3466 | RDKit |
| Molar Refractivity | 47.42200000000002 | RDKit |
