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Antimonate(2-), Bis[Μ-[(2R,3R)-2,3-Di(Hydroxy-Κo)Butanedioato(4-)-Κo1:Κo4]]Di-, Sodium (1:2)
CAS: 34521-09-0 | C8H4Na2O12Sb2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
34521-09-0
Molecular Formula:
C8H4Na2O12Sb2
Molecular Mass:
581.61 g/mol
Names and Synonyms:
Antimonate(2-), Bis[Μ-[(2R,3R)-2,3-Di(Hydroxy-Κo)Butanedioato(4-)-Κo1:Κo4]]Di-, Sodium (1:2)
Antimonate(2-), bis[μ-[(2R,3R)-2,3-di(hydroxy-κO)butanedioato(4-)-κO1:κO4]]di-, sodium (1:2)
Antimonate(2-), bis[μ-[2,3-dihydroxybutanedioato(4-)-O1,O2:O3,O4]]di-, disodium, stereoisomer
Antimony sodium oxide tartrate
Diantimony ditartrate disodium
Antimonate(2-), bis[μ-[(2R,3R)-2,3-di(hydroxy-κO)butanedioato(4-)-κO1:κO4]]di-, disodium
Butanedioic acid, 2,3-dihydroxy- [R-(R*,R*)]-, antimony complex
Sodium antimony tartrate
Stibnal
Antimonyl sodium tartrate
Sodium antimonyl tartrate
Antimony sodium tartrate
Antimony sodium oxide L-(+)-tartrate
Emetosodium
Stibunal
Disodium bis(R,R-tartrato)diantimonate(2-)
Emeto Na
Identifiers:
SMILES:
O=C([O-])C([O-])C([O-])C(=O)[O-].O=C([O-])C([O-])C([O-])C(=O)[O-].[Na+].[Na+].[Sb+3].[Sb+3]
InChI:
InChI=1S/2C4H4O6.2Na.2Sb/c2*5-1(3(7)8)2(6)4(9)10;;;;/h2*1-2H,(H,7,8)(H,9,10);;;;/q2*-2;2*+1;2*+3/p-4
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 | 581.61 g/mol | CAS Common Chemistry |
| 581.6080000000001 g/mol | RDKit | |
| 579.7574455280001 g/mol | RDKit | |
| Canonical SMILES | [Na+].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 | CAS Common Chemistry |
| InChI | InChI=1S/2C4H4O6.2Na.2Sb/c2*5-1(3(7)8)2(6)4(9)10;;;;/h2*1-2H,(H,7,8)(H,9,10);;;;/q2*-2;2*+1;2*+3/p-4 | CAS Common Chemistry |
| InChI Key | InChIKey=UZVPADYOEPQJSP-UHFFFAOYSA-J | CAS Common Chemistry |
| Name | Antimonate(2-), bis[μ-[(2R,3R)-2,3-di(hydroxy-κO)butanedioato(4-)-κO1:κO4]]di-, sodium (1:2) | CAS Common Chemistry |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 12 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 252.76 Ų | RDKit |
| LogP | -18.865599999999997 | RDKit |
| Molar Refractivity | 46.688 | RDKit |
