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Sodium Phosphotungstate
CAS: 51312-42-6 | HNaO6PW-4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
51312-42-6
Molecular Formula:
HNaO6PW-4
Molecular Mass:
334.81 g/mol
Names and Synonyms:
Sodium Phosphotungstate
Sodium tungsten hydroxide oxide phosphate
Sodium tungstophosphate
Sodium phosphotungstate
Tungstophosphoric acid, sodium salt
Identifiers:
SMILES:
O=P([O-])([O-])[O-].[Na].[OH-].[O].[W]
InChI:
InChI=1S/Na.H3O4P.H2O.O.W/c;1-5(2,3)4;;;/h;(H3,1,2,3,4);1H2;;/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 | 334.81 g/mol | CAS Common Chemistry |
| 334.80600000000004 g/mol | RDKit | |
| 334.89396918164005 g/mol | RDKit | |
| 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 | RDKit |
