Back to Search
Molecule
Cupric Tartrate
CAS: 815-82-7 · C4H6CuO6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 815-82-7
- Molecular Formula
- C4H6CuO6
- Molecular Mass
- 213.63 g/mol
Identifiers
CAS Registry Number
815-82-7
SMILES
O=C(O)[C@H](O)[C@@H](O)C(=O)O.[Cu]
InChI Key
XIPWCAOMSIUHSL-ZVGUSBNCSA-N
InChI
InChI=1S/C4H6O6.Cu/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
- Cupric Tartrate Synonym
- Butanedioic acid, 2,3-dihydroxy- (2R,3R)-, copper(2+) salt (1:1) Synonym
- Tartaric acid, copper(2+) salt (1:1), (+)- Synonym
- Butanedioic acid, 2,3-dihydroxy- [R-(R*,R*)]-, copper(2+) salt (1:1) Synonym
- Copper, compd. with tartaric acid Synonym
- Cupric tartrate Synonym
- Copper(II) tartrate Synonym
- NSC 112251 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 213.63 g/mol | CAS Common Chemistry |
| 213.63199999999998 g/mol | RDKit | |
| 213.632 g/mol | RDKit | |
| 214.64 g/mol | chempirical lib | |
| Canonical SMILES | [Cu].O=C(O)C(O)C(O)C(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C4H6O6.Cu/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=XIPWCAOMSIUHSL-ZVGUSBNCSA-N | CAS Common Chemistry |
| Name | Cupric tartrate | CAS Common Chemistry |
| Heavy Atom Count | 11 | 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 | -2.1251 | RDKit |
| Molar Refractivity | 27.285199999999996 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 212.946035412 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
Convert
Quick conversion
MW = 213.63 g/mol. Edit any field — others recompute live.
