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Sodium Pyrophosphate Decahydrate
CAS: 13472-36-1 | H24Na4O17P2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13472-36-1
Molecular Formula:
H24Na4O17P2
Molecular Mass:
450.08 g/mol
Names and Synonyms:
Sodium Pyrophosphate Decahydrate
Diphosphoric acid, sodium salt, hydrate (1:4:10)
Pyrophosphoric acid, tetrasodium salt, decahydrate
Diphosphoric acid, tetrasodium salt, decahydrate
Tetrasodium pyrophosphate decahydrate
Sodium pyrophosphate (Na4P2O7) decahydrate
Sodium pyrophosphate decahydrate
Sodium diphosphate (Na4P2O7) decahydrate
Identifiers:
SMILES:
O.O.O.O.O.O.O.O.O.O.O=P(O)(O)OP(=O)(O)O.[Na].[Na].[Na].[Na]
InChI:
InChI=1S/4Na.H4O7P2.10H2O/c;;;;1-8(2,3)7-9(4,5)6;;;;;;;;;;/h;;;;(H2,1,2,3)(H2,4,5,6);10*1H2
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 | 450.08 g/mol | CAS Common Chemistry |
| 450.083 g/mol | RDKit | |
| 450.007949688 g/mol | RDKit | |
| Canonical SMILES | [Na].O=P(O)(O)OP(=O)(O)O.O | CAS Common Chemistry |
| InChI | InChI=1S/4Na.H4O7P2.10H2O/c;;;;1-8(2,3)7-9(4,5)6;;;;;;;;;;/h;;;;(H2,1,2,3)(H2,4,5,6);10*1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=JWVBKODFUJPPRI-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Sodium pyrophosphate decahydrate | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 439.2900000000001 Ų | RDKit |
| LogP | -10.581799999999989 | RDKit |
| Molar Refractivity | 84.32719999999996 | RDKit |
