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Molecule
Trisodium Phosphate Dodecahydrate
CAS: 10101-89-0 · H27Na3O16P
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 10101-89-0
- Molecular Formula
- H27Na3O16P
- Molecular Mass
- 383.14 g/mol
Identifiers
CAS Registry Number
10101-89-0
SMILES
O.O.O.O.O.O.O.O.O.O.O.O.O=P(O)(O)O.[Na].[Na].[Na]
InChI Key
SZMRYTJVXHPULA-UHFFFAOYSA-N
InChI
InChI=1S/3Na.H3O4P.12H2O/c;;;1-5(2,3)4;;;;;;;;;;;;/h;;;(H3,1,2,3,4);12*1H2
Names and Synonyms
- Trisodium Phosphate Dodecahydrate Common Name
- Phosphoric acid, sodium salt, hydrate (1:3:12) Synonym
- Phosphoric acid, trisodium salt, dodecahydrate Synonym
- Trisodium phosphate dodecahydrate Synonym
- Trisodium orthophosphate dodecahydrate Synonym
- Trisodium phosphate (Na3PO4.12H2O) Synonym
- Sodium phosphate (Na3PO4) dodecahydrate Synonym
- Sodium orthophosphate dodecahydrate Synonym
- Trisodium phosphate dodecahydrate (Na3PO4.12H2O) Synonym
- Sodium phosphate tribasic dodecahydrate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 383.14 g/mol | CAS Common Chemistry |
| 383.144 g/mol | RDKit | |
| 386.168 g/mol | chempirical lib | |
| 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 |
| 455.76 Ų | RDKit | |
| LogP | -11.967399999999987 | RDKit |
| -11.9674 | RDKit | |
| Molar Refractivity | 74.89050000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 383.0729792540001 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
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| Shift (ppm) | DEPT | Assignment |
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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 = 383.14 g/mol. Edit any field — others recompute live.
