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Molecule
Glutamic Acid Diacetate Tetrasodium Salt
CAS: 51981-21-6 · C9H13NNa4O8
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 51981-21-6
- Molecular Formula
- C9H13NNa4O8
- Molecular Mass
- 355.16 g/mol
Identifiers
CAS Registry Number
51981-21-6
SMILES
O=C(O)CC[C@@H](C(=O)O)N(CC(=O)O)CC(=O)O.[Na].[Na].[Na].[Na]
InChI Key
ZVRFJQNFBZALQD-OUTKXMMCSA-N
InChI
InChI=1S/C9H13NO8.4Na/c11-6(12)2-1-5(9(17)18)10(3-7(13)14)4-8(15)16;;;;/h5H,1-4H2,(H,11,12)(H,13,14)(H,15,16)(H,17,18);;;;/t5-;;;;/m0..../s1
Names and Synonyms
- Glutamic Acid Diacetate Tetrasodium Salt Common Name
- L-Glutamic acid, N,N-bis(carboxymethyl)-, sodium salt (1:4) Synonym
- L-Glutamic acid, N,N-bis(carboxymethyl)-, tetrasodium salt Synonym
- N,N-Bis(carboxymethyl)glutamic acid tetrasodium salt Synonym
- Tetrasodium N,N-bis(carboxymethyl)-L-glutamate Synonym
- L-Glutamic acid-N,N-di(acetic acid) tetrasodium salt Synonym
- N,N-Bis(carboxymethyl)glutamate tetrasodium salt Synonym
- Glutamic acid diacetate tetrasodium salt Synonym
- Glutamic acid N,N-diacetic acid sodium salt Synonym
- Chelest CMG 40 Synonym
- GLDA 4Na-R Synonym
- Tetrasodium N,N-Dicarboxymethyl-L-glutamate Synonym
- Dissolvine GL 38 Synonym
- Dissolvine GL 47 Synonym
- Disolvine GL Synonym
- Dissolvine GL-PD Synonym
- Dissolvine GL 47S Synonym
- Dissolvine GL-PD-S Synonym
- Dissolvine PD-S 2 Synonym
- N,N-Bis(carboxymethyl)-L-Glutamic acid tetrasodium salt Synonym
- Tetrasodium GLDA Synonym
- Tetrasodium glutamate diacetate Synonym
- GLDA 47 Synonym
- GL 47S Synonym
- Dissolvine GL 45 Synonym
- L-Glutamic acid, N,N-diacetyl-, sodium salt (1:4) Synonym
- Dissolvine GDA 47S Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 355.16 g/mol | CAS Common Chemistry |
| 355.162 g/mol | RDKit | |
| 359.194 g/mol | chempirical lib | |
| Canonical SMILES | [Na].O=C(O)CN(CC(=O)O)C(C(=O)O)CCC(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C9H13NO8.4Na/c11-6(12)2-1-5(9(17)18)10(3-7(13)14)4-8(15)16;;;;/h5H,1-4H2,(H,11,12)(H,13,14)(H,15,16)(H,17,18);;;;/t5-;;;;/m0..../s1 | CAS Common Chemistry |
| InChI Key | InChIKey=ZVRFJQNFBZALQD-OUTKXMMCSA-N | CAS Common Chemistry |
| Name | Glutamic acid diacetate tetrasodium salt | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 152.44 Ų | RDKit |
| 152.21 Ų | chempirical lib | |
| LogP | -2.7475999999999976 | RDKit |
| -2.7476 | RDKit | |
| Molar Refractivity | 78.15420000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5556 | RDKit |
| 0.56 | chempirical lib | |
| Exact Mass | 355.0231934960001 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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.
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MW = 355.16 g/mol. Edit any field — others recompute live.
