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Molecule
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
Identifiers
CAS Registry Number
6381-59-5
SMILES
O.O.O.O.O=C(O)[C@H](O)[C@@H](O)C(=O)O.[K].[Na]
InChI Key
IAPKUSBKIGQOIE-ZFJVMAEJSA-N
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
Names and Synonyms
- Monopotassium Monosodium Tartrate Tetrahydrate Common Name
- Butanedioic acid, 2,3-dihydroxy- (2R,3R)-, potassium sodium salt, hydrate (1:1:1:4) Synonym
- Tartaric acid, monopotassium monosodium salt, tetrahydrate, L-(+)- Synonym
- Butanedioic acid, 2,3-dihydroxy-[R-(R*,R*)]-, monopotassium monosodium salt, tetrahydrate Synonym
- Butanedioic acid, 2,3-dihydroxy- (2R,3R)-, monopotassium monosodium salt, tetrahydrate Synonym
- Monopotassium monosodium tartrate tetrahydrate Synonym
- Potassium sodium tartrate (1:1:1) tetrahydrate Synonym
- Rochelle salt Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 284.23 g/mol | CAS Common Chemistry |
| 284.23400000000004 g/mol | RDKit | |
| 284.234 g/mol | RDKit | |
| 286.25 g/mol | chempirical lib | |
| 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 |
| 241.06 Ų | RDKit | |
| LogP | -6.182999999999995 | RDKit |
| -6.183 | RDKit | |
| Molar Refractivity | 53.248400000000025 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 284.012172608 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 = 284.23 g/mol. Edit any field — others recompute live.
