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Molecule
Disodium Hydrogen Phosphate Heptahydrate
CAS: 7782-85-6 · H17Na2O11P
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 7782-85-6
- Molecular Formula
- H17Na2O11P
- Molecular Mass
- 270.08 g/mol
Identifiers
CAS Registry Number
7782-85-6
SMILES
O.O.O.O.O.O.O.O=P(O)(O)O.[Na].[Na]
InChI Key
YLNNULODLCJGBJ-UHFFFAOYSA-N
InChI
InChI=1S/2Na.H3O4P.7H2O/c;;1-5(2,3)4;;;;;;;/h;;(H3,1,2,3,4);7*1H2
Names and Synonyms
- Disodium Hydrogen Phosphate Heptahydrate Common Name
- Phosphoric acid, disodium salt, heptahydrate Synonym
- Disodium orthophosphate heptahydrate Synonym
- Sodium monohydrogen phosphate heptahydrate Synonym
- Disodium phosphate heptahydrate Synonym
- Disodium hydrogen phosphate heptahydrate Synonym
- Sodium phosphate (Na2HPO4) heptahydrate Synonym
- Sodium phosphate dibasic heptahydrate Synonym
- Dibasic sodium phosphate heptahydrate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 270.08 g/mol | CAS Common Chemistry |
| 270.079 g/mol | RDKit | |
| 272.095 g/mol | chempirical lib | |
| 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 |
| 298.26 Ų | RDKit | |
| LogP | -7.4630999999999945 | RDKit |
| -7.4631 | RDKit | |
| Molar Refractivity | 51.06750000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 270.030386554 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 = 270.08 g/mol. Edit any field — others recompute live.
