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Glutamic Acid Diacetate Tetrasodium Salt
CAS: 51981-21-6 | C9H13NNa4O8
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
51981-21-6
Molecular Formula:
C9H13NNa4O8
Molecular Mass:
355.16 g/mol
Names and Synonyms:
Glutamic Acid Diacetate Tetrasodium Salt
L-Glutamic acid, N,N-bis(carboxymethyl)-, sodium salt (1:4)
L-Glutamic acid, N,N-bis(carboxymethyl)-, tetrasodium salt
N,N-Bis(carboxymethyl)glutamic acid tetrasodium salt
Tetrasodium N,N-bis(carboxymethyl)-L-glutamate
L-Glutamic acid-N,N-di(acetic acid) tetrasodium salt
N,N-Bis(carboxymethyl)glutamate tetrasodium salt
Glutamic acid diacetate tetrasodium salt
Glutamic acid N,N-diacetic acid sodium salt
Chelest CMG 40
GLDA 4Na-R
Tetrasodium N,N-Dicarboxymethyl-L-glutamate
Dissolvine GL 38
Dissolvine GL 47
Disolvine GL
Dissolvine GL-PD
Dissolvine GL 47S
Dissolvine GL-PD-S
Dissolvine PD-S 2
N,N-Bis(carboxymethyl)-L-Glutamic acid tetrasodium salt
Tetrasodium GLDA
Tetrasodium glutamate diacetate
GLDA 47
GL 47S
Dissolvine GL 45
L-Glutamic acid, N,N-diacetyl-, sodium salt (1:4)
Dissolvine GDA 47S
Identifiers:
SMILES:
O=C(O)CC[C@@H](C(=O)O)N(CC(=O)O)CC(=O)O.[Na].[Na].[Na].[Na]
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
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 355.16 g/mol | CAS Common Chemistry |
| 355.162 g/mol | RDKit | |
| 355.0231934960001 g/mol | RDKit | |
| 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 |
| LogP | -2.7475999999999976 | RDKit |
| Molar Refractivity | 78.15420000000002 | RDKit |
