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Molecule
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
Identifiers
CAS Registry Number
28300-74-5
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 Key
WBTCZEPSIIFINA-UHFFFAOYSA-J
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
Names and Synonyms
- Antimony Potassium Tartrate Common Name
- Antimonate(2-), bis[μ-[2,3-di(hydroxy-κO)butanedioato(4-)-κO1:κO4]]di-, potassium, hydrate (1:2:3), stereoisomer Synonym
- Antimonate(2-), bis[μ-tartrato(4-)]di-, dipotassium, trihydrate Synonym
- Antimonate(2-), bis[μ-[2,3-dihydroxybutanedioato(4-)-O1,O2:O3,O4]]di-, dipotassium, trihydrate, stereoisomer Synonym
- Antimonate(2-), bis[μ-[2,3-di(hydroxy-κO)butanedioato(4-)-κO1:κO4]]di-, dipotassium, trihydrate, stereoisomer Synonym
- Butanedioic acid, 2,3-dihydroxy- [R-(R*,R*)]-, antimony complex Synonym
- Antimonate(1-), aqua[tartrato(4-)]-, potassium, sesquihydrate, dimer Synonym
- Antimony potassium tartrate Synonym
- Antimonyl potassium tartrate, sesquihydrate Synonym
- Potassium antimony tartrate Synonym
- Tartox Synonym
- Antimonate(1-), oxo(tartrato)-, potassium sesquihydrate, dimer Synonym
- Antimonyl potassium tartrate Synonym
- Tartarized antimony Synonym
- Tartrated antimony Synonym
- Potassium antimonyl d-tartrate Synonym
- Dipotassium di-μ-d-tartrato(4-)-bis(antimonate(III)) trihydrate Synonym
- Tartar emetic Synonym
- Butanedioic acid, 2,3-dihydroxy- (2R,3R)-, antimony potassium salt Synonym
- Antimonium tartaricum Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 667.87 g/mol | CAS Common Chemistry |
| 667.8690000000001 g/mol | RDKit | |
| 667.869 g/mol | RDKit | |
| 683.997 g/mol | chempirical lib | |
| 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 |
| -21.3397 | RDKit | |
| Molar Refractivity | 57.529400000000024 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 665.7370143800001 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 667.87 g/mol; density = 2.600 g/mL. Edit any field — others recompute live.
