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Molecule
Aluminum Dihydrogen Tripolyphosphate
CAS: 13939-25-8 · H5AlO10P3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 13939-25-8
- Molecular Formula
- H5AlO10P3
- Molecular Mass
- 284.93 g/mol
Identifiers
CAS Registry Number
13939-25-8
SMILES
O=P(O)(O)OP(=O)(O)OP(=O)(O)O.[Al]
InChI Key
USKFJVXXKSXPNG-UHFFFAOYSA-N
InChI
InChI=1S/Al.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
- Aluminum Dihydrogen Tripolyphosphate Common Name
- Triphosphoric acid, aluminum salt (1:1) Synonym
- Aluminum triphosphate (AlH2P3O10) Synonym
- K-Bond 80 Synonym
- Aluminum hydrogen triphosphate (AlH2P3O10) Synonym
- K-White 2 Synonym
- K-Fresh 100P Synonym
- Aluminum dihydrogen triphosphate Synonym
- K 100 Synonym
- K 100 (phosphate) Synonym
- Aluminum phosphate (AlH2P3O10) Synonym
- KW 140E Synonym
- K-White 92 Synonym
- Aluminum dihydrogen tripolyphosphate Synonym
- K-White 83S Synonym
- K-White 140E Synonym
- K-White 140 Synonym
- SAP 1 Synonym
- Yipin SAP 1 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 284.93 g/mol | CAS Common Chemistry |
| 284.93399999999997 g/mol | RDKit | |
| 284.934 g/mol | RDKit | |
| 287.958 g/mol | chempirical lib | |
| Canonical SMILES | [Al].O=P(O)(O)OP(=O)(O)OP(=O)(O)O | CAS Common Chemistry |
| InChI | InChI=1S/Al.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=USKFJVXXKSXPNG-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Aluminum dihydrogen tripolyphosphate | CAS Common Chemistry |
| Heavy Atom Count | 14 | 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 | -1.0754000000000001 | RDKit |
| -1.0754 | RDKit | |
| -1.03 | chempirical lib | |
| Molar Refractivity | 41.837500000000006 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 284.8910948800001 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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100
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0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 284.93 g/mol. Edit any field — others recompute live.
