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Trisodium Phosphate Dodecahydrate
CAS: 10101-89-0 | H27Na3O16P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
10101-89-0
Molecular Formula:
H27Na3O16P
Molecular Mass:
383.14 g/mol
Names and Synonyms:
Trisodium Phosphate Dodecahydrate
Phosphoric acid, sodium salt, hydrate (1:3:12)
Phosphoric acid, trisodium salt, dodecahydrate
Trisodium phosphate dodecahydrate
Trisodium orthophosphate dodecahydrate
Trisodium phosphate (Na3PO4.12H2O)
Sodium phosphate (Na3PO4) dodecahydrate
Sodium orthophosphate dodecahydrate
Trisodium phosphate dodecahydrate (Na3PO4.12H2O)
Sodium phosphate tribasic dodecahydrate
Identifiers:
SMILES:
O.O.O.O.O.O.O.O.O.O.O.O.O=P(O)(O)O.[Na].[Na].[Na]
InChI:
InChI=1S/3Na.H3O4P.12H2O/c;;;1-5(2,3)4;;;;;;;;;;;;/h;;;(H3,1,2,3,4);12*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 | 383.14 g/mol | CAS Common Chemistry |
| 383.144 g/mol | RDKit | |
| 383.0729792540001 g/mol | RDKit | |
| Canonical SMILES | [Na].O=P(O)(O)O.O | CAS Common Chemistry |
| InChI | InChI=1S/3Na.H3O4P.12H2O/c;;;1-5(2,3)4;;;;;;;;;;;;/h;;;(H3,1,2,3,4);12*1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=SZMRYTJVXHPULA-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Trisodium phosphate dodecahydrate | CAS Common Chemistry |
| Heavy Atom Count | 20 | 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 | -11.967399999999987 | RDKit |
| Molar Refractivity | 74.89050000000002 | RDKit |
