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Molecule
Sodium Tartrate
CAS: 868-18-8 · C4H6Na2O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 868-18-8
- Molecular Formula
- C4H6Na2O6
- Molecular Mass
- 196.07 g/mol
Identifiers
CAS Registry Number
868-18-8
SMILES
O=C(O)[C@H](O)[C@@H](O)C(=O)O.[Na].[Na]
InChI Key
RSGQDAUWSVMQCN-OLXYHTOASA-N
InChI
InChI=1S/C4H6O6.2Na/c5-1(3(7)8)2(6)4(9)10;;/h1-2,5-6H,(H,7,8)(H,9,10);;/t1-,2-;;/m1../s1
Names and Synonyms
- Sodium Tartrate Common Name
- Butanedioic acid, 2,3-dihydroxy- (2R,3R)-, sodium salt (1:2) Synonym
- Tartaric acid, disodium salt Synonym
- Butanedioic acid, 2,3-dihydroxy-[R-(R*,R*)]-, disodium salt Synonym
- Sodium tartrate (Na2(C4H4O6)) Synonym
- Butanedioic acid, 2,3-dihydroxy- (2R,3R)-, disodium salt Synonym
- Disodium tartrate Synonym
- Sal tartar Synonym
- Bisodium tartrate Synonym
- Disodium L-tartrate Synonym
- Disodium L-(+)-tartrate Synonym
- Sodium L-(+)-tartrate Synonym
- Disodium (+)-tartrate Synonym
- Sodium tartrate Synonym
- Disodium d-tartrate Synonym
- L-Disodium tartrate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 196.07 g/mol | CAS Common Chemistry |
| 196.066 g/mol | RDKit | |
| 198.082 g/mol | chempirical lib | |
| Density | 1.82 g/cm³ | CAS Common Chemistry |
| 1.82 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Sodium_tartrate | CAS Common Chemistry |
| Canonical SMILES | [Na].O=C(O)C(O)C(O)C(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C4H6O6.2Na/c5-1(3(7)8)2(6)4(9)10;;/h1-2,5-6H,(H,7,8)(H,9,10);;/t1-,2-;;/m1../s1 | CAS Common Chemistry |
| InChI Key | InChIKey=RSGQDAUWSVMQCN-OLXYHTOASA-N | CAS Common Chemistry |
| Name | Sodium tartrate | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 115.06000000000002 Ų | RDKit |
| 115.06 Ų | RDKit | |
| LogP | -2.8841999999999994 | RDKit |
| -2.8842 | RDKit | |
| Molar Refractivity | 38.793200000000006 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 195.99597647199997 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 = 196.07 g/mol; density = 1.820 g/mL. Edit any field — others recompute live.
