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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
Names and Synonyms:
Disodium Pyrophosphate
Diphosphoric acid, sodium salt (1:2)
Pyrophosphoric acid, disodium salt
Diphosphoric acid, disodium salt
Sodium pyrophosphate (Na2H2P2O7)
Disodium dihydrogen pyrophosphate
Disodium pyrophosphate
Dihydrogen disodium pyrophosphate
Disodium acid pyrophosphate
Disodium dihydrogen diphosphate
Disodium diphosphate
Disodium pyrophosphate (Na2H2P2O7)
Sodium hydrogen phosphate (Na2H2P2O7)
Disodium dihydrogen diphosphate (Na2H2P2O7)
SAPP-RD 1
SAPP
SAPP 40
E 450i
Identifiers:
SMILES:
O=P(O)(O)OP(=O)(O)O.[Na].[Na]
InChI:
InChI=1S/2Na.H4O7P2/c;;1-8(2,3)7-9(4,5)6/h;;(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 | 223.95 g/mol | CAS Common Chemistry |
| 223.95300000000003 g/mol | RDKit | |
| 223.922764288 g/mol | RDKit | |
| 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 |
| LogP | -1.5732000000000004 | RDKit |
| Molar Refractivity | 36.681200000000004 | RDKit |
