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Molecule
Sodium Glutamate Monohydrate
CAS: 6106-04-3 · C5H11NNaO5
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 6106-04-3
- Molecular Formula
- C5H11NNaO5
- Molecular Mass
- 188.14 g/mol
Identifiers
CAS Registry Number
6106-04-3
SMILES
N[C@@H](CCC(=O)O)C(=O)O.O.[Na]
InChI Key
FMGRPEQSMWQKHM-QTNFYWBSSA-N
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
Names and Synonyms
- Sodium Glutamate Monohydrate Common Name
- L-Glutamic acid, sodium salt, hydrate (1:1:1) Synonym
- Glutamic acid, monosodium salt, monohydrate, L- Synonym
- L-Glutamic acid, monosodium salt, monohydrate Synonym
- Sodium glutamate monohydrate Synonym
- Monosodium glutamate monohydrate Synonym
- MSG monohydrate Synonym
- Monosodium L-glutamate monohydrate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 188.14 g/mol | CAS Common Chemistry |
| 188.135 g/mol | RDKit | |
| 189.143 g/mol | chempirical lib | |
| 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 |
| -1.9424 | RDKit | |
| Molar Refractivity | 41.84880000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6 | RDKit |
| Exact Mass | 188.053491732 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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140
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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.
External Resources
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MW = 188.14 g/mol. Edit any field — others recompute live.
