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Antimony Potassium Tartrate
CAS: 28300-74-5 | C8H10K2O15Sb2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
28300-74-5
Molecular Formula:
C8H10K2O15Sb2
Molecular Mass:
667.87 g/mol
Names and Synonyms:
Antimony Potassium Tartrate
Antimonate(2-), bis[μ-[2,3-di(hydroxy-κO)butanedioato(4-)-κO1:κO4]]di-, potassium, hydrate (1:2:3), stereoisomer
Antimonate(2-), bis[μ-tartrato(4-)]di-, dipotassium, trihydrate
Antimonate(2-), bis[μ-[2,3-dihydroxybutanedioato(4-)-O1,O2:O3,O4]]di-, dipotassium, trihydrate, stereoisomer
Antimonate(2-), bis[μ-[2,3-di(hydroxy-κO)butanedioato(4-)-κO1:κO4]]di-, dipotassium, trihydrate, stereoisomer
Butanedioic acid, 2,3-dihydroxy- [R-(R*,R*)]-, antimony complex
Antimonate(1-), aqua[tartrato(4-)]-, potassium, sesquihydrate, dimer
Antimony potassium tartrate
Antimonyl potassium tartrate, sesquihydrate
Potassium antimony tartrate
Tartox
Antimonate(1-), oxo(tartrato)-, potassium sesquihydrate, dimer
Antimonyl potassium tartrate
Tartarized antimony
Tartrated antimony
Potassium antimonyl d-tartrate
Dipotassium di-μ-d-tartrato(4-)-bis(antimonate(III)) trihydrate
Tartar emetic
Butanedioic acid, 2,3-dihydroxy- (2R,3R)-, antimony potassium salt
Antimonium tartaricum
Identifiers:
SMILES:
O.O.O.O=C([O-])C([O-])C([O-])C(=O)[O-].O=C([O-])C([O-])C([O-])C(=O)[O-].[K+].[K+].[Sb+3].[Sb+3]
InChI:
InChI=1S/2C4H4O6.2K.3H2O.2Sb/c2*5-1(3(7)8)2(6)4(9)10;;;;;;;/h2*1-2H,(H,7,8)(H,9,10);;;3*1H2;;/q2*-2;2*+1;;;;2*+3/p-4
Key Properties
Density
2.60 g/cm³
CAS Common Chemistry
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 | 667.87 g/mol | CAS Common Chemistry |
| 667.8690000000001 g/mol | RDKit | |
| 665.7370143800001 g/mol | RDKit | |
| Density | 2.60 g/cm³ | CAS Common Chemistry |
| 2.6 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Antimony_potassium_tartrate | CAS Common Chemistry |
| Canonical SMILES | [K+].O=C1[O-][Sb+3]23[O-]C(=O)C([O-]2)C4[O-][Sb+3]5([O-]C(=O)C([O-]5)C1[O-]3)[O-]C4=O.O | CAS Common Chemistry |
| InChI | InChI=1S/2C4H4O6.2K.3H2O.2Sb/c2*5-1(3(7)8)2(6)4(9)10;;;;;;;/h2*1-2H,(H,7,8)(H,9,10);;;3*1H2;;/q2*-2;2*+1;;;;2*+3/p-4 | CAS Common Chemistry |
| InChI Key | InChIKey=WBTCZEPSIIFINA-UHFFFAOYSA-J | CAS Common Chemistry |
| Name | Antimony potassium tartrate | CAS Common Chemistry |
| Heavy Atom Count | 27 | RDKit |
| Hydrogen Bond Acceptors | 12 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 347.26 Ų | RDKit |
| LogP | -21.339700000000004 | RDKit |
| Molar Refractivity | 57.529400000000024 | RDKit |
