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Molecule
Sodium Pyrophosphate Decahydrate
CAS: 13472-36-1 · H24Na4O17P2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 13472-36-1
- Molecular Formula
- H24Na4O17P2
- Molecular Mass
- 450.08 g/mol
Identifiers
CAS Registry Number
13472-36-1
SMILES
O.O.O.O.O.O.O.O.O.O.O=P(O)(O)OP(=O)(O)O.[Na].[Na].[Na].[Na]
InChI Key
JWVBKODFUJPPRI-UHFFFAOYSA-N
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
Names and Synonyms
- Sodium Pyrophosphate Decahydrate Synonym
- Diphosphoric acid, sodium salt, hydrate (1:4:10) Synonym
- Pyrophosphoric acid, tetrasodium salt, decahydrate Synonym
- Diphosphoric acid, tetrasodium salt, decahydrate Synonym
- Tetrasodium pyrophosphate decahydrate Synonym
- Sodium pyrophosphate (Na4P2O7) decahydrate Synonym
- Sodium pyrophosphate decahydrate Synonym
- Sodium diphosphate (Na4P2O7) decahydrate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 450.08 g/mol | CAS Common Chemistry |
| 450.083 g/mol | RDKit | |
| 454.115 g/mol | chempirical lib | |
| 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 |
| 439.29 Ų | RDKit | |
| LogP | -10.581799999999989 | RDKit |
| -10.5818 | RDKit | |
| Molar Refractivity | 84.32719999999996 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 450.007949688 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.
External Resources
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MW = 450.08 g/mol. Edit any field — others recompute live.
