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Sodium Glutamate Monohydrate
CAS: 6106-04-3 | C5H11NNaO5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6106-04-3
Molecular Formula:
C5H11NNaO5
Molecular Mass:
188.14 g/mol
Names and Synonyms:
Sodium Glutamate Monohydrate
L-Glutamic acid, sodium salt, hydrate (1:1:1)
Glutamic acid, monosodium salt, monohydrate, L-
L-Glutamic acid, monosodium salt, monohydrate
Sodium glutamate monohydrate
Monosodium glutamate monohydrate
MSG monohydrate
Monosodium L-glutamate monohydrate
Identifiers:
SMILES:
N[C@@H](CCC(=O)O)C(=O)O.O.[Na]
InChI:
InChI=1S/C5H9NO4.Na.H2O/c6-3(5(9)10)1-2-4(7)8;;/h3H,1-2,6H2,(H,7,8)(H,9,10);;1H2/t3-;;/m0../s1
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 | 188.14 g/mol | CAS Common Chemistry |
| 188.135 g/mol | RDKit | |
| 188.053491732 g/mol | RDKit | |
| Canonical SMILES | [Na].O=C(O)CCC(N)C(=O)O.O | CAS Common Chemistry |
| InChI | InChI=1S/C5H9NO4.Na.H2O/c6-3(5(9)10)1-2-4(7)8;;/h3H,1-2,6H2,(H,7,8)(H,9,10);;1H2/t3-;;/m0../s1 | CAS Common Chemistry |
| InChI Key | InChIKey=FMGRPEQSMWQKHM-QTNFYWBSSA-N | CAS Common Chemistry |
| Name | Sodium glutamate monohydrate | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 132.12 Ų | RDKit |
| LogP | -1.9423999999999984 | RDKit |
| Molar Refractivity | 41.84880000000001 | RDKit |
