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Molecule
Sodium Gluconate
CAS: 527-07-1 · C6H12NaO7
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 527-07-1
- Molecular Formula
- C6H12NaO7
- Molecular Mass
- 219.15 g/mol
Identifiers
CAS Registry Number
527-07-1
SMILES
O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Na]
InChI Key
IAYLKIVGMOMHDX-JJKGCWMISA-N
InChI
InChI=1S/C6H12O7.Na/c7-1-2(8)3(9)4(10)5(11)6(12)13;/h2-5,7-11H,1H2,(H,12,13);/t2-,3-,4+,5-;/m1./s1
Names and Synonyms
- Sodium Gluconate Synonym
- D-Gluconic acid, sodium salt (1:1) Synonym
- Gluconic acid, monosodium salt, D- Synonym
- D-Gluconic acid, monosodium salt Synonym
- Glonsen Synonym
- Pasexon 100T Synonym
- Sodium gluconate Synonym
- Gluconic acid sodium salt Synonym
- PMP Sodium Gluconate Synonym
- Gluconic acid monosodium salt Synonym
- Monosodium gluconate Synonym
- Sunmorl N 60S Synonym
- Clewat GL Synonym
- Disparlight DV Synonym
- BVD Addicrete Synonym
- Helshas A Synonym
- Sodium D-gluconate Synonym
- Resitard P 608A Synonym
- EMF 1240 Synonym
- GL-P (gluconate) Synonym
- GL-P Synonym
- Glucon SGA 60 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Name | Sodium gluconate | CAS Common Chemistry |
| Molecular Mass | 219.15 g/mol | CAS Common Chemistry |
| 219.145 g/mol | RDKit | |
| 220.153 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Sodium_gluconate | CAS Common Chemistry |
| Canonical SMILES | [Na].O=C(O)C(O)C(O)C(O)C(O)CO | CAS Common Chemistry |
| InChI | InChI=1S/C6H12O7.Na/c7-1-2(8)3(9)4(10)5(11)6(12)13;/h2-5,7-11H,1H2,(H,12,13);/t2-,3-,4+,5-;/m1./s1 | CAS Common Chemistry |
| InChI Key | InChIKey=IAYLKIVGMOMHDX-JJKGCWMISA-N | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 6 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 138.45000000000002 Ų | RDKit |
| 138.45 Ų | RDKit | |
| LogP | -3.8739000000000003 | RDKit |
| -3.8739 | RDKit | |
| Molar Refractivity | 44.50280000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8333 | RDKit |
| 0.83 | chempirical lib | |
| Exact Mass | 219.04807200399998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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5
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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 = 219.15 g/mol. Edit any field — others recompute live.
