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Molecule
Potassium Tripolyphosphate
CAS: 13845-36-8 · H5K5O10P3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 13845-36-8
- Molecular Formula
- H5K5O10P3
- Molecular Mass
- 453.44 g/mol
Identifiers
CAS Registry Number
13845-36-8
SMILES
O=P(O)(O)OP(=O)(O)OP(=O)(O)O.[K].[K].[K].[K].[K]
InChI Key
XAEBQEWQPPRSRH-UHFFFAOYSA-N
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)
Names and Synonyms
- Potassium Tripolyphosphate Synonym
- Triphosphoric acid, potassium salt (1:5) Synonym
- Triphosphoric acid, pentapotassium salt Synonym
- Potassium triphosphate (K5P3O10) Synonym
- Potassium tripolyphosphate Synonym
- Potassium phosphate (K5P3O10) Synonym
- Pentapotassium triphosphate Synonym
- Pentapotassium tripolyphosphate Synonym
- Potassium triphosphate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 453.44 g/mol | CAS Common Chemistry |
| 453.44200000000006 g/mol | RDKit | |
| 453.442 g/mol | RDKit | |
| 458.482 g/mol | chempirical lib | |
| 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 |
| -2.5986 | RDKit | |
| Molar Refractivity | 64.8535 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 452.72808965 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 = 453.44 g/mol. Edit any field — others recompute live.
