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Molecule
Sodium Phosphate (Na6P6O18)
CAS: 10124-56-8 · H6Na6O18P6
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 10124-56-8
- Molecular Formula
- H6Na6O18P6
- Molecular Mass
- 617.81 g/mol
Identifiers
CAS Registry Number
10124-56-8
SMILES
O=P1(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O1.[Na].[Na].[Na].[Na].[Na].[Na]
InChI Key
RWTSDYJZARIKCW-UHFFFAOYSA-N
InChI
InChI=1S/6Na.H6O18P6/c;;;;;;1-19(2)13-20(3,4)15-22(7,8)17-24(11,12)18-23(9,10)16-21(5,6)14-19/h;;;;;;(H,1,2)(H,3,4)(H,5,6)(H,7,8)(H,9,10)(H,11,12)
Names and Synonyms
- Sodium Phosphate (Na6P6O18) Common Name
- Metaphosphoric acid (H6P6O18), sodium salt (1:6) Synonym
- Metaphosphoric acid (H6P6O18), hexasodium salt Synonym
- Sodium hexametaphosphate (Na6P6O18) Synonym
- Sodium phosphate (NaPO3)6 Synonym
- Sodium phosphate (Na6P6O18) Synonym
- Sodium phosphate (Na6(PO3)6) Synonym
- Sodium metaphosphate (Na6(PO3)6) Synonym
- Sodium metaphosphate (Na6P6O18) Synonym
- Sodium hexametaphosphate ((NaPO3)6) Synonym
- Hexasodium hexametaphosphate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 617.81 g/mol | CAS Common Chemistry |
| 617.8140000000002 g/mol | RDKit | |
| 617.814 g/mol | RDKit | |
| 623.862 g/mol | chempirical lib | |
| Canonical SMILES | [Na].O=P1(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O1 | CAS Common Chemistry |
| InChI | InChI=1S/6Na.H6O18P6/c;;;;;;1-19(2)13-20(3,4)15-22(7,8)17-24(11,12)18-23(9,10)16-21(5,6)14-19/h;;;;;;(H,1,2)(H,3,4)(H,5,6)(H,7,8)(H,9,10)(H,11,12) | CAS Common Chemistry |
| InChI Key | InChIKey=RWTSDYJZARIKCW-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Sodium phosphate (Na6P6O18) | CAS Common Chemistry |
| Heavy Atom Count | 30 | RDKit |
| Hydrogen Bond Acceptors | 12 | RDKit |
| Hydrogen Bond Donors | 6 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 279.17999999999995 Ų | RDKit |
| 279.18 Ų | RDKit | |
| LogP | -1.5828 | RDKit |
| Molar Refractivity | 99.9858 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 617.7365988119999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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5
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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.
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MW = 617.81 g/mol. Edit any field — others recompute live.
