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D-Glucaric Acid, Potassium Salt (1:1)
CAS: 576-42-1 | C6H10KO8
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
576-42-1
Molecular Formula:
C6H10KO8
Molecular Mass:
249.24 g/mol
Names and Synonyms:
D-Glucaric Acid, Potassium Salt (1:1)
D-Glucaric acid, potassium salt (1:1)
Glucaric acid, monopotassium salt, D-
D-Glucaric acid, monopotassium salt
Potassium acid saccharate
Potassium bisaccharate
Potassium hydrogen saccharate
D-Saccharic acid monopotassium salt
Monopotassium D-glucarate
Potassium hydrogen D-glucarate
Monopotassium saccharate
Identifiers:
SMILES:
O=C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O.[K]
InChI:
InChI=1S/C6H10O8.K/c7-1(3(9)5(11)12)2(8)4(10)6(13)14;/h1-4,7-10H,(H,11,12)(H,13,14);/t1-,2-,3-,4+;/m0./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 | 249.24 g/mol | CAS Common Chemistry |
| 249.236 g/mol | RDKit | |
| 249.00127396 g/mol | RDKit | |
| Canonical SMILES | [K].O=C(O)C(O)C(O)C(O)C(O)C(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C6H10O8.K/c7-1(3(9)5(11)12)2(8)4(10)6(13)14;/h1-4,7-10H,(H,11,12)(H,13,14);/t1-,2-,3-,4+;/m0./s1 | CAS Common Chemistry |
| InChI Key | InChIKey=AHPUWJRVCCLSPB-SBBOJQDXSA-N | CAS Common Chemistry |
| Name | D-Glucaric acid, potassium salt (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 6 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 155.52 Ų | RDKit |
| LogP | -3.7816 | RDKit |
| Molar Refractivity | 45.05280000000001 | RDKit |
