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Molecule
Sodium Pyroglutamate
CAS: 28874-51-3 · C5H7NNaO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 28874-51-3
- Molecular Formula
- C5H7NNaO3
- Molecular Mass
- 152.11 g/mol
Identifiers
CAS Registry Number
28874-51-3
SMILES
O=C(O)[C@@H]1CCC(O)=N1.[Na]
InChI Key
XCNILYKGVJTUMZ-DFWYDOINSA-N
InChI
InChI=1S/C5H7NO3.Na/c7-4-2-1-3(6-4)5(8)9;/h3H,1-2H2,(H,6,7)(H,8,9);/t3-;/m0./s1
Names and Synonyms
- Sodium Pyroglutamate Common Name
- L-Proline, 5-oxo-, sodium salt (1:1) Synonym
- Proline, 5-oxo-, monosodium salt, L- Synonym
- L-Proline, 5-oxo-, monosodium salt Synonym
- 2-Pyrrolidinone-5-carboxylic acid sodium salt Synonym
- Sodium 2-pyrrolidinone-5-carboxylate Synonym
- Sodium 2-oxo-5-pyrrolidinecarboxylate Synonym
- 5-Carboxy-2-pyrrolidone sodium salt Synonym
- Sodium 2-pyrrolidone-5-carboxylate Synonym
- Sodium L-pyroglutamate Synonym
- 2-Pyrrolidone-5-carboxylic acid sodium salt Synonym
- Sodium pyrrolidone-5-carboxylate Synonym
- Sodium L-pyrrolidonecarboxylate Synonym
- Sodium pidolate Synonym
- Sodium pyroglutamate Synonym
- Ajidew NL 50 Synonym
- PDSI 101 Synonym
- Prodew 300 Synonym
- Monosodium L-pyroglutamate Synonym
- NL 50 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 152.11 g/mol | CAS Common Chemistry |
| 152.10500000000002 g/mol | RDKit | |
| 152.105 g/mol | RDKit | |
| 153.113 g/mol | chempirical lib | |
| Canonical SMILES | [Na].O=C1NC(C(=O)O)CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H7NO3.Na/c7-4-2-1-3(6-4)5(8)9;/h3H,1-2H2,(H,6,7)(H,8,9);/t3-;/m0./s1 | CAS Common Chemistry |
| InChI Key | InChIKey=XCNILYKGVJTUMZ-DFWYDOINSA-N | CAS Common Chemistry |
| Melting Point | 42 °C | CAS Common Chemistry |
| Name | Sodium pyroglutamate | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 69.89 Ų | RDKit |
| LogP | -0.1908999999999999 | RDKit |
| -0.1909 | RDKit | |
| Molar Refractivity | 36.4756 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6 | RDKit |
| Exact Mass | 152.032362364 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 |
|---|
200 ppm
180
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120
100
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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 = 152.11 g/mol. Edit any field — others recompute live.
