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Sodium Glyoxal Bisulfite
CAS: 517-21-5 | C2H6Na2O8S2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
517-21-5
Molecular Formula:
C2H6Na2O8S2
Molecular Mass:
268.18 g/mol
Names and Synonyms:
Sodium Glyoxal Bisulfite
1,2-Ethanedisulfonic acid, 1,2-dihydroxy-, sodium salt (1:2)
1,2-Ethanedisulfonic acid, 1,2-dihydroxy-, disodium salt
Sodium glyoxal bisulfite
Disodium 1,2-dihydroxy-1,2-ethanedisulfonate
Glyoxal disodium bisulfite
Glyoxal-sodium bisulfite adduct (1:2)
NSC 18262
Identifiers:
SMILES:
O=S(=O)(O)C(O)C(O)S(=O)(=O)O.[Na].[Na]
InChI:
InChI=1S/C2H6O8S2.2Na/c3-1(11(5,6)7)2(4)12(8,9)10;;/h1-4H,(H,5,6,7)(H,8,9,10);;
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 | 268.18 g/mol | CAS Common Chemistry |
| 268.176 g/mol | RDKit | |
| 267.929947712 g/mol | RDKit | |
| Canonical SMILES | [Na].O=S(=O)(O)C(O)C(O)S(=O)(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C2H6O8S2.2Na/c3-1(11(5,6)7)2(4)12(8,9)10;;/h1-4H,(H,5,6,7)(H,8,9,10);; | CAS Common Chemistry |
| InChI Key | InChIKey=LXRWXMGQJWYHKY-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Sodium glyoxal bisulfite | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 149.2 Ų | RDKit |
| LogP | -3.3627999999999996 | RDKit |
| Molar Refractivity | 46.61880000000001 | RDKit |
