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Molecule
Dl-Glutamic Acid, Monosodium Salt
CAS: 32221-81-1 · C5H9NNaO4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 32221-81-1
- Molecular Formula
- C5H9NNaO4
- Molecular Mass
- 170.12 g/mol
Identifiers
CAS Registry Number
32221-81-1
SMILES
NC(CCC(=O)O)C(=O)O.[Na]
InChI Key
UVZZAUIWJCQWEO-UHFFFAOYSA-N
InChI
InChI=1S/C5H9NO4.Na/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);
Names and Synonyms
- Dl-Glutamic Acid, Monosodium Salt Systematic Name
- Glutamic acid, sodium salt (1:1) Synonym
- Glutamic acid, monosodium salt, DL- Synonym
- DL-Glutamic acid, monosodium salt Synonym
- Glutamic acid, monosodium salt Synonym
- Monosodium DL-glutamate Synonym
- Monosodium DL-glutamate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 170.12 g/mol | CAS Common Chemistry |
| 171.128 g/mol | chempirical lib | |
| Canonical SMILES | [Na].O=C(O)CCC(N)C(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C5H9NO4.Na/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10); | CAS Common Chemistry |
| InChI Key | InChIKey=UVZZAUIWJCQWEO-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | DL-Glutamic acid, monosodium salt | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 100.62000000000002 Ų | RDKit |
| 100.62 Ų | RDKit | |
| LogP | -1.117699999999999 | RDKit |
| -1.1177 | RDKit | |
| Molar Refractivity | 38.23500000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6 | RDKit |
| Exact Mass | 170.042927048 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 170.12 g/mol. Edit any field — others recompute live.
