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Molecule
Sodium Ascorbate
CAS: 134-03-2 · C6H8NaO6
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 134-03-2
- Molecular Formula
- C6H8NaO6
- Molecular Mass
- 199.11 g/mol
Identifiers
CAS Registry Number
134-03-2
SMILES
O=C1O[C@H]([C@@H](O)CO)C(O)=C1O.[Na]
InChI Key
WTTKTIBMFBIUSE-RXSVEWSESA-N
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+;/m0./s1
Names and Synonyms
- Sodium Ascorbate Synonym
- L-Ascorbic acid, sodium salt (1:1) Synonym
- L-Ascorbic acid, monosodium salt Synonym
- Ascorbic acid, sodium deriv. Synonym
- Ascorbicin Synonym
- Ascorbin Synonym
- Natrascorb Synonym
- Natri-C Synonym
- 3-Oxo-L-gulofuranolactone sodium Synonym
- Sodascorbate Synonym
- Sodium ascorbate Synonym
- Sodium L-ascorbate Synonym
- Vitamin C sodium Synonym
- Cebitate Synonym
- Cenolate Synonym
- Monosodium ascorbate Synonym
- Ascorbic acid sodium salt Synonym
- L-Ascorbic acid sodium salt Synonym
- Iskia C Synonym
- HBL 508 Synonym
- ASK-P 10KR Synonym
- CK 40 Synonym
- CK 40 (ascorbate) Synonym
- E 301 Synonym
- E 301 (antioxidant) Synonym
- Limcee Synonym
- Monosodium L-ascorbate Synonym
- Vitamin C Na salt Synonym
- Sodium (+)-L-ascorbate Synonym
- Sodium L-(+)-ascorbate Synonym
- Vitamin C Na Synonym
- Sodium 2-(1,2-dihydroxyethyl)-4-hydroxy-5-oxo-2,5-dihydrofuran-3-olate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 199.11 g/mol | CAS Common Chemistry |
| 199.114 g/mol | RDKit | |
| 200.122 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Sodium_ascorbate | CAS Common Chemistry |
| Boiling Point | 235 °C | 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+;/m0./s1 | CAS Common Chemistry |
| InChI Key | InChIKey=WTTKTIBMFBIUSE-RXSVEWSESA-N | CAS Common Chemistry |
| Melting Point | 220 °C | CAS Common Chemistry |
| Name | Sodium ascorbate | 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 |
| 107.22 Ų | RDKit | |
| LogP | -1.7881999999999993 | RDKit |
| -1.7882 | RDKit | |
| Molar Refractivity | 41.010200000000005 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 199.021857256 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 199.11 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H8NaO6.
