Back to Search
Potassium Gluconate
CAS: 299-27-4 | C6H12KO7
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
299-27-4
Molecular Formula:
C6H12KO7
Molecular Mass:
235.25 g/mol
Names and Synonyms:
Potassium Gluconate
Kaon
D-Gluconic acid, potassium salt (1:1)
Gluconic acid, monopotassium salt, D-
D-Gluconic acid, monopotassium salt
Potassium gluconate
Katorin
Gluconic acid potassium salt
Potasoral
Potassuril
K-IAO
Potassium D-gluconate
Kalium-Beta
Sirokal
Potalium
Gluconsan K
Katrin
Kalimozan
Tumil K
Helshas K
Identifiers:
SMILES:
O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[K]
InChI:
InChI=1S/C6H12O7.K/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
Key Properties
Melting Point
106 °C (decomp)
CAS Common Chemistry
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 | 235.25 g/mol | CAS Common Chemistry |
| 235.253 g/mol | RDKit | |
| 235.022009404 g/mol | RDKit | |
| Canonical SMILES | [K].O=C(O)C(O)C(O)C(O)C(O)CO | CAS Common Chemistry |
| InChI | InChI=1S/C6H12O7.K/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=RCCFGAWCGJBIIB-JJKGCWMISA-N | CAS Common Chemistry |
| Melting Point | 106 °C (decomp) | CAS Common Chemistry |
| Name | Potassium gluconate | 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 |
| LogP | -3.8739000000000003 | RDKit |
| Molar Refractivity | 44.50280000000002 | RDKit |
