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Molecule
Sodium Phosphotungstate
CAS: 51312-42-6 · HNaO6PW-4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 51312-42-6
- Molecular Formula
- HNaO6PW-4
- Molecular Mass
- 334.81 g/mol
Identifiers
CAS Registry Number
51312-42-6
SMILES
O=P([O-])([O-])[O-].[Na].[OH-].[O].[W]
InChI Key
HSQHIADAKRVWEX-UHFFFAOYSA-J
InChI
InChI=1S/Na.H3O4P.H2O.O.W/c;1-5(2,3)4;;;/h;(H3,1,2,3,4);1H2;;/p-4
Names and Synonyms
- Sodium Phosphotungstate Common Name
- Sodium tungsten hydroxide oxide phosphate Synonym
- Sodium tungstophosphate Synonym
- Sodium phosphotungstate Synonym
- Tungstophosphoric acid, sodium salt Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 334.81 g/mol | CAS Common Chemistry |
| 334.80600000000004 g/mol | RDKit | |
| 334.89396918164005 g/mol | RDKit | |
| 339.846 g/mol | chempirical lib | |
| Canonical SMILES | [O].[Na].[W].[OH-].O=P([O-])([O-])[O-] | CAS Common Chemistry |
| InChI | InChI=1S/Na.H3O4P.H2O.O.W/c;1-5(2,3)4;;;/h;(H3,1,2,3,4);1H2;;/p-4 | CAS Common Chemistry |
| InChI Key | InChIKey=HSQHIADAKRVWEX-UHFFFAOYSA-J | CAS Common Chemistry |
| Name | Sodium phosphotungstate | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 144.75 Ų | RDKit |
| LogP | -3.5035 | RDKit |
| Molar Refractivity | 15.9828 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | -4 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 334.806 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 = 334.81 g/mol. Edit any field — others recompute live.
