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Molecule
Disodium Pyrophosphate
CAS: 7758-16-9 · H4Na2O7P2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 7758-16-9
- Molecular Formula
- H4Na2O7P2
- Molecular Mass
- 223.95 g/mol
Identifiers
CAS Registry Number
7758-16-9
SMILES
O=P(O)(O)OP(=O)(O)O.[Na].[Na]
InChI Key
PPJGSBMKHZFHFF-UHFFFAOYSA-N
InChI
InChI=1S/2Na.H4O7P2/c;;1-8(2,3)7-9(4,5)6/h;;(H2,1,2,3)(H2,4,5,6)
Names and Synonyms
- Disodium Pyrophosphate Synonym
- Diphosphoric acid, sodium salt (1:2) Synonym
- Pyrophosphoric acid, disodium salt Synonym
- Diphosphoric acid, disodium salt Synonym
- Sodium pyrophosphate (Na2H2P2O7) Synonym
- Disodium dihydrogen pyrophosphate Synonym
- Disodium pyrophosphate Synonym
- Dihydrogen disodium pyrophosphate Synonym
- Disodium acid pyrophosphate Synonym
- Disodium dihydrogen diphosphate Synonym
- Disodium diphosphate Synonym
- Disodium pyrophosphate (Na2H2P2O7) Synonym
- Sodium hydrogen phosphate (Na2H2P2O7) Synonym
- Disodium dihydrogen diphosphate (Na2H2P2O7) Synonym
- SAPP-RD 1 Synonym
- SAPP Synonym
- SAPP 40 Synonym
- E 450i Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 223.95 g/mol | CAS Common Chemistry |
| 223.95300000000003 g/mol | RDKit | |
| 223.953 g/mol | RDKit | |
| 225.969 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Disodium_pyrophosphate | CAS Common Chemistry |
| Canonical SMILES | [Na].O=P(O)(O)OP(=O)(O)O | CAS Common Chemistry |
| InChI | InChI=1S/2Na.H4O7P2/c;;1-8(2,3)7-9(4,5)6/h;;(H2,1,2,3)(H2,4,5,6) | CAS Common Chemistry |
| InChI Key | InChIKey=PPJGSBMKHZFHFF-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Disodium pyrophosphate | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 124.29000000000002 Ų | RDKit |
| 124.29 Ų | RDKit | |
| LogP | -1.5732000000000004 | RDKit |
| -1.5732 | RDKit | |
| Molar Refractivity | 36.681200000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 223.922764288 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
160
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40
20
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.
External Resources
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MW = 223.95 g/mol. Edit any field — others recompute live.
