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Potassium Tripolyphosphate
CAS: 13845-36-8 | H5K5O10P3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13845-36-8
Molecular Formula:
H5K5O10P3
Molecular Mass:
453.44 g/mol
Names and Synonyms:
Potassium Tripolyphosphate
Triphosphoric acid, potassium salt (1:5)
Triphosphoric acid, pentapotassium salt
Potassium triphosphate (K5P3O10)
Potassium tripolyphosphate
Potassium phosphate (K5P3O10)
Pentapotassium triphosphate
Pentapotassium tripolyphosphate
Potassium triphosphate
Identifiers:
SMILES:
O=P(O)(O)OP(=O)(O)OP(=O)(O)O.[K].[K].[K].[K].[K]
InChI:
InChI=1S/5K.H5O10P3/c;;;;;1-11(2,3)9-13(7,8)10-12(4,5)6/h;;;;;(H,7,8)(H2,1,2,3)(H2,4,5,6)
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 | 453.44 g/mol | CAS Common Chemistry |
| 453.44200000000006 g/mol | RDKit | |
| 452.72808965 g/mol | RDKit | |
| Canonical SMILES | [K].O=P(O)(O)OP(=O)(O)OP(=O)(O)O | CAS Common Chemistry |
| InChI | InChI=1S/5K.H5O10P3/c;;;;;1-11(2,3)9-13(7,8)10-12(4,5)6/h;;;;;(H,7,8)(H2,1,2,3)(H2,4,5,6) | CAS Common Chemistry |
| InChI Key | InChIKey=XAEBQEWQPPRSRH-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Potassium tripolyphosphate | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 5 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 170.82 Ų | RDKit |
| LogP | -2.5986000000000002 | RDKit |
| Molar Refractivity | 64.8535 | RDKit |
