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D-Methionine
CAS: 348-67-4 | C5H11NO2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
348-67-4
Molecular Formula:
C5H11NO2S
Molecular Mass:
149.22 g/mol
Names and Synonyms:
D-Methionine
D-Methionine
Methionine, D-
(R)-Methionine
NSC 45689
S-Methyl-D-homocysteine
MRX 1024
(R)-2-Amino-4-(methylthio)butanoic acid
(2R)-2-Amino-4-methylsulfanylbutanoic acid
Identifiers:
SMILES:
CSCC[C@@H](N)C(=O)O
InChI:
InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1
Key Properties
Melting Point
100-101 °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 | 149.22 g/mol | CAS Common Chemistry |
| 149.215 g/mol | RDKit | |
| 149.051049592 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C(N)CCSC | CAS Common Chemistry |
| InChI | InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=FFEARJCKVFRZRR-SCSAIBSYSA-N | CAS Common Chemistry |
| Melting Point | 100-101 °C | CAS Common Chemistry |
| Name | D-Methionine | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 63.32000000000001 Ų | RDKit |
| LogP | 0.1513999999999998 | RDKit |
| Molar Refractivity | 38.61019999999999 | RDKit |
