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Molecule
Ammonium Paratungstate
CAS: 11120-25-5 · H42N10O42W12
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 11120-25-5
- Molecular Formula
- H42N10O42W12
- Molecular Mass
- 3060.4440000000013 g/mol
Identifiers
CAS Registry Number
11120-25-5
SMILES
N.N.O.O.[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[W+2].[W+2].[W+2].[W+2].[W+2].[W+2].[W+4].[W+4].[W+4].[W+4].[W+4].[W+4]
InChI Key
JNYHFSSZJZBUDJ-UHFFFAOYSA-V
InChI
InChI=1S/10H3N.2H2O.40O.12W/h10*1H3;2*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;22*-2;6*+2;6*+4/p+8
Names and Synonyms
- Ammonium Paratungstate Common Name
- Tungstate (W12(OH)2O4010-), ammonium (1:10) Synonym
- Tungstic acid (H10W12O41), decaammonium salt Synonym
- Tungstate (W12(OH)2O4010-), decaammonium Synonym
- Ammonium tungstate(VI) ((NH4)10H2W12O42) Synonym
- Decaammonium tungstate ((NH4)10W12O42) Synonym
- Ammonium tungstate ((NH4)10W12O41) Synonym
- Ammonium paratungstate Synonym
- Ammonium tungstate ((NH4)10H2W12O42) Synonym
- Decaammonium dihydrogen hexakis[heptaoxoditungstate(2-)] Synonym
- (NH4)10H2(W2O7)6) Synonym
- Ammonium tungstate [NH4]10H2[W2O7]6 Synonym
- Ammonium tungstate ((NH4)10H2(W2O7)) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Wikipedia Url | https://en.wikipedia.org/wiki/Ammonium_paratungstate | CAS Common Chemistry |
| Canonical SMILES | O=[W+2]123(=O)[O-2][W+2]45(=O)(=O)[O-2][W+2]67(=O)(=O)[O-2][W+4]89%10(=O)[O-2][W+2]%11%12(=O)(=O)[O-2][W+2]%13%14(=O)(=O)[O-2][W+2]%15(=O)(=O)([O-2][W+4]%16%17(=O)([O-2]1)[O-2][W+4]%18(=O)([O-2]6)([O-2][W+4](=O)([O-2]%11)([O-2]%16)([O-2]%15%13)[OH-]%17%18)[O-2]24)[O-2][W+4]%19(=O)([O-2]8)([O-2][W+4](=O)([O-2]3)([O-2]9)([O-2]75)[OH-]%10%19)[O-2]%12%14.[NH4+] | CAS Common Chemistry |
| InChI | InChI=1S/10H3N.2H2O.40O.12W/h10*1H3;2*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;22*-2;6*+2;6*+4/p+8 | CAS Common Chemistry |
| InChI Key | InChIKey=JNYHFSSZJZBUDJ-UHFFFAOYSA-V | CAS Common Chemistry |
| Name | Ammonium tungstate ((NH4)10W12O41) | CAS Common Chemistry |
| Ammonium paratungstate | CAS Common Chemistry | |
| Molecular Mass | 3060.4440000000013 g/mol | RDKit |
| 3061.556979784002 g/mol | RDKit | |
| 3060.444 g/mol | RDKit | |
| 3157.212 g/mol | chempirical lib | |
| Heavy Atom Count | 64 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 10 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 1565.0 Ų | RDKit |
| LogP | -3.097800000000003 | RDKit |
| -3.0978 | RDKit | |
| Molar Refractivity | 92.61019999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 3060.44 g/mol | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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5
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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 = 3060.44 g/mol. Edit any field — others recompute live.
