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Disodium Hydrogen Phosphate Heptahydrate
CAS: 7782-85-6 | H17Na2O11P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7782-85-6
Molecular Formula:
H17Na2O11P
Molecular Mass:
270.08 g/mol
Names and Synonyms:
Disodium Hydrogen Phosphate Heptahydrate
Phosphoric acid, disodium salt, heptahydrate
Disodium orthophosphate heptahydrate
Sodium monohydrogen phosphate heptahydrate
Disodium phosphate heptahydrate
Disodium hydrogen phosphate heptahydrate
Sodium phosphate (Na2HPO4) heptahydrate
Sodium phosphate dibasic heptahydrate
Dibasic sodium phosphate heptahydrate
Identifiers:
SMILES:
O.O.O.O.O.O.O.O=P(O)(O)O.[Na].[Na]
InChI:
InChI=1S/2Na.H3O4P.7H2O/c;;1-5(2,3)4;;;;;;;/h;;(H3,1,2,3,4);7*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 | 270.08 g/mol | CAS Common Chemistry |
| 270.079 g/mol | RDKit | |
| 270.030386554 g/mol | RDKit | |
| Canonical SMILES | [Na].O=P(O)(O)O.O | CAS Common Chemistry |
| InChI | InChI=1S/2Na.H3O4P.7H2O/c;;1-5(2,3)4;;;;;;;/h;;(H3,1,2,3,4);7*1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=YLNNULODLCJGBJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Disodium hydrogen phosphate heptahydrate | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 298.26000000000005 Ų | RDKit |
| LogP | -7.4630999999999945 | RDKit |
| Molar Refractivity | 51.06750000000004 | RDKit |
