Back to Search
Molecule
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
Identifiers
CAS Registry Number
10039-32-4
SMILES
O.O.O.O.O.O.O.O.O.O.O.O.O=P(O)(O)O.[Na].[Na]
InChI Key
FCBXCSMDIVQNDS-UHFFFAOYSA-N
InChI
InChI=1S/2Na.H3O4P.12H2O/c;;1-5(2,3)4;;;;;;;;;;;;/h;;(H3,1,2,3,4);12*1H2
Names and Synonyms
- Disodium Hydrogen Phosphate Dodecahydrate Common Name
- Phosphoric acid, sodium salt, hydrate (1:2:12) Synonym
- Phosphoric acid, disodium salt, dodecahydrate Synonym
- Disodium hydrogen phosphate dodecahydrate Synonym
- Disodium hydrogen orthophosphate dodecahydrate Synonym
- Disodium phosphate (Na2HPO4.12H2O) Synonym
- Disodium phosphate dodecahydrate Synonym
- Disodium orthophosphate dodecahydrate Synonym
- Phosphoric acid disodium dodecahydrate Synonym
- Monohydrogen disodium phosphate dodecahydrate Synonym
- Sodium phosphate (Na2HPO4) dodecahydrate Synonym
- Disodium monohydrogen phosphate dodecahydrate Synonym
- Disodium phosphate (Na2HPO4) dodecahydrate Synonym
- Disodium phosphate dodecahydrate (Na2HPO4.12H2O) Synonym
- Monosodium phosphate dodecahydrate Synonym
- 1: PN: LV14347 PAGE: 18 claimed sequence Synonym
- Sodium phosphate dibasic dodecahydrate Synonym
- Dibasic sodium phosphate dodecahydrate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 360.15 g/mol | CAS Common Chemistry |
| 360.154 g/mol | RDKit | |
| 362.17 g/mol | chempirical lib | |
| 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 |
| 455.76 Ų | RDKit | |
| LogP | -11.586599999999988 | RDKit |
| -11.5866 | RDKit | |
| Molar Refractivity | 69.13650000000005 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 360.08320997400006 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
Convert
Quick conversion
MW = 360.15 g/mol. Edit any field — others recompute live.
