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Molecule
Triphosphoric Acid, Sodium Salt (1:?)
CAS: 13573-18-7 · H5NaO10P3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 13573-18-7
- Molecular Formula
- H5NaO10P3
- Molecular Mass
- 280.94 g/mol
Identifiers
CAS Registry Number
13573-18-7
SMILES
O=P(O)(O)OP(=O)(O)OP(=O)(O)O.[Na]
InChI Key
FYBVENGNOGWODF-UHFFFAOYSA-N
InChI
InChI=1S/Na.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
- Triphosphoric Acid, Sodium Salt (1:?) Systematic Name
- Triphosphoric acid, sodium salt (1:?) Synonym
- Triphosphoric acid, sodium salt Synonym
- Sodium triphosphate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 280.94 g/mol | CAS Common Chemistry |
| 280.942 g/mol | RDKit | |
| 281.95 g/mol | chempirical lib | |
| Canonical SMILES | [Na].O=P(O)(O)OP(=O)(O)OP(=O)(O)O | CAS Common Chemistry |
| InChI | InChI=1S/Na.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=FYBVENGNOGWODF-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Triphosphoric acid, sodium salt (1:?) | 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 | |
| Molar Refractivity | 41.837500000000006 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 280.89932553000006 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.
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MW = 280.94 g/mol. Edit any field — others recompute live.
