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Molecule
Monopotassium Glutamate
CAS: 19473-49-5 · C5H9KNO4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 19473-49-5
- Molecular Formula
- C5H9KNO4
- Molecular Mass
- 186.23 g/mol
Identifiers
CAS Registry Number
19473-49-5
SMILES
N[C@@H](CCC(=O)O)C(=O)O.[K]
InChI Key
VCXSLYSWQMBISB-DFWYDOINSA-N
InChI
InChI=1S/C5H9NO4.K/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);/t3-;/m0./s1
Names and Synonyms
- Monopotassium Glutamate Common Name
- L-Glutamic acid, potassium salt (1:1) Synonym
- Glutamic acid, monopotassium salt, L- Synonym
- L-Glutamic acid, monopotassium salt Synonym
- Monopotassium glutamate Synonym
- MPG Synonym
- Potassium glutamate Synonym
- Kaglutam Synonym
- Monopotassium L-glutamate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 186.23 g/mol | CAS Common Chemistry |
| 186.228 g/mol | RDKit | |
| 187.236 g/mol | chempirical lib | |
| Canonical SMILES | [K].O=C(O)CCC(N)C(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C5H9NO4.K/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);/t3-;/m0./s1 | CAS Common Chemistry |
| InChI Key | InChIKey=VCXSLYSWQMBISB-DFWYDOINSA-N | CAS Common Chemistry |
| Name | Monopotassium glutamate | 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 | 186.016864448 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 = 186.23 g/mol. Edit any field — others recompute live.
