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Sodium Erythorbate
CAS: 6381-77-7 | C6H8NaO6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6381-77-7
Molecular Formula:
C6H8NaO6
Molecular Mass:
199.11 g/mol
Names and Synonyms:
Sodium Erythorbate
D-erythro-Hex-2-enonic acid, γ-lactone, sodium salt (1:1)
D-erythro-Hex-2-enonic acid, γ-lactone, monosodium salt
Araboascorbic acid, monosodium salt, D-
Sodium erythorbate
Neo-Cebitate
Sodium isoascorbate
Mercate 20
Isona
Erythorbic acid sodium salt
Sodium D-isoascorbate
Eribate N
Ozoban
Erbit N
E 316
Sodium Isovitamin C
Isoascorbate C sodium
Identifiers:
SMILES:
O=C1O[C@H]([C@H](O)CO)C(O)=C1O.[Na]
InChI:
InChI=1S/C6H8O6.Na/c7-1-2(8)5-3(9)4(10)6(11)12-5;/h2,5,7-10H,1H2;/t2-,5-;/m1./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 | 199.11 g/mol | CAS Common Chemistry |
| 199.114 g/mol | RDKit | |
| 199.021857256 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Sodium_erythorbate | CAS Common Chemistry |
| Canonical SMILES | [Na].O=C1OC(C(O)=C1O)C(O)CO | CAS Common Chemistry |
| InChI | InChI=1S/C6H8O6.Na/c7-1-2(8)5-3(9)4(10)6(11)12-5;/h2,5,7-10H,1H2;/t2-,5-;/m1./s1 | CAS Common Chemistry |
| InChI Key | InChIKey=WTTKTIBMFBIUSE-RKJRWTFHSA-N | CAS Common Chemistry |
| Name | Sodium erythorbate | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 107.22000000000001 Ų | RDKit |
| LogP | -1.7881999999999993 | RDKit |
| Molar Refractivity | 41.010200000000005 | RDKit |
