Back to Search
Monopotassium Monosodium Tartrate Tetrahydrate
CAS: 6381-59-5 | C4H14KNaO10
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6381-59-5
Molecular Formula:
C4H14KNaO10
Molecular Mass:
284.23 g/mol
Names and Synonyms:
Monopotassium Monosodium Tartrate Tetrahydrate
Butanedioic acid, 2,3-dihydroxy- (2R,3R)-, potassium sodium salt, hydrate (1:1:1:4)
Tartaric acid, monopotassium monosodium salt, tetrahydrate, L-(+)-
Butanedioic acid, 2,3-dihydroxy-[R-(R*,R*)]-, monopotassium monosodium salt, tetrahydrate
Butanedioic acid, 2,3-dihydroxy- (2R,3R)-, monopotassium monosodium salt, tetrahydrate
Monopotassium monosodium tartrate tetrahydrate
Potassium sodium tartrate (1:1:1) tetrahydrate
Rochelle salt
Identifiers:
SMILES:
O.O.O.O.O=C(O)[C@H](O)[C@@H](O)C(=O)O.[K].[Na]
InChI:
InChI=1S/C4H6O6.K.Na.4H2O/c5-1(3(7)8)2(6)4(9)10;;;;;;/h1-2,5-6H,(H,7,8)(H,9,10);;;4*1H2/t1-,2-;;;;;;/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 | 284.23 g/mol | CAS Common Chemistry |
| 284.23400000000004 g/mol | RDKit | |
| 284.012172608 g/mol | RDKit | |
| Canonical SMILES | [Na].[K].O=C(O)C(O)C(O)C(=O)O.O | CAS Common Chemistry |
| InChI | InChI=1S/C4H6O6.K.Na.4H2O/c5-1(3(7)8)2(6)4(9)10;;;;;;/h1-2,5-6H,(H,7,8)(H,9,10);;;4*1H2/t1-,2-;;;;;;/m1....../s1 | CAS Common Chemistry |
| InChI Key | InChIKey=IAPKUSBKIGQOIE-ZFJVMAEJSA-N | CAS Common Chemistry |
| Name | Monopotassium monosodium tartrate tetrahydrate | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 241.05999999999995 Ų | RDKit |
| LogP | -6.182999999999995 | RDKit |
| Molar Refractivity | 53.248400000000025 | RDKit |
