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Disodium Hydrogen Phosphate Dodecahydrate
CAS: 10039-32-4 | H27Na2O16P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
10039-32-4
Molecular Formula:
H27Na2O16P
Molecular Mass:
360.15 g/mol
Names and Synonyms:
Disodium Hydrogen Phosphate Dodecahydrate
Phosphoric acid, sodium salt, hydrate (1:2:12)
Phosphoric acid, disodium salt, dodecahydrate
Disodium hydrogen phosphate dodecahydrate
Disodium hydrogen orthophosphate dodecahydrate
Disodium phosphate (Na2HPO4.12H2O)
Disodium phosphate dodecahydrate
Disodium orthophosphate dodecahydrate
Phosphoric acid disodium dodecahydrate
Monohydrogen disodium phosphate dodecahydrate
Sodium phosphate (Na2HPO4) dodecahydrate
Disodium monohydrogen phosphate dodecahydrate
Disodium phosphate (Na2HPO4) dodecahydrate
Disodium phosphate dodecahydrate (Na2HPO4.12H2O)
Monosodium phosphate dodecahydrate
1: PN: LV14347 PAGE: 18 claimed sequence
Sodium phosphate dibasic dodecahydrate
Dibasic sodium phosphate dodecahydrate
Identifiers:
SMILES:
O.O.O.O.O.O.O.O.O.O.O.O.O=P(O)(O)O.[Na].[Na]
InChI:
InChI=1S/2Na.H3O4P.12H2O/c;;1-5(2,3)4;;;;;;;;;;;;/h;;(H3,1,2,3,4);12*1H2
Key Properties
Melting Point
35 °C
CAS Common Chemistry
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 | 360.15 g/mol | CAS Common Chemistry |
| 360.154 g/mol | RDKit | |
| 360.08320997400006 g/mol | RDKit | |
| Canonical SMILES | [Na].O=P(O)(O)O.O | CAS Common Chemistry |
| InChI | InChI=1S/2Na.H3O4P.12H2O/c;;1-5(2,3)4;;;;;;;;;;;;/h;;(H3,1,2,3,4);12*1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=FCBXCSMDIVQNDS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 35 °C | CAS Common Chemistry |
| Name | Disodium hydrogen phosphate dodecahydrate | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 455.76000000000005 Ų | RDKit |
| LogP | -11.586599999999988 | RDKit |
| Molar Refractivity | 69.13650000000005 | RDKit |
