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Molecule
Foscarnet Sodium
CAS: 63585-09-1 · CH3Na3O5P
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 63585-09-1
- Molecular Formula
- CH3Na3O5P
- Molecular Mass
- 194.97 g/mol
Identifiers
CAS Registry Number
63585-09-1
SMILES
O=C(O)P(=O)(O)O.[Na].[Na].[Na]
InChI Key
HQJDOEQZQFFYNG-UHFFFAOYSA-N
InChI
InChI=1S/CH3O5P.3Na/c2-1(3)7(4,5)6;;;/h(H,2,3)(H2,4,5,6);;;
Names and Synonyms
- Foscarnet Sodium Common Name
- Phosphinecarboxylic acid, 1,1-dihydroxy-, 1-oxide, sodium salt (1:3) Synonym
- Phosphinecarboxylic acid, dihydroxy-, oxide, trisodium salt Synonym
- Trisodium phosphonoformate Synonym
- A 29622 Synonym
- Phosphonoformic acid trisodium salt Synonym
- Foscarnet sodium Synonym
- PFA Synonym
- Triapten Synonym
- EHB 776 Synonym
- Foscavir Synonym
- Gefin Synonym
- Trisodium phosphonatoformate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 194.97 g/mol | CAS Common Chemistry |
| 194.974 g/mol | RDKit | |
| 197.998 g/mol | chempirical lib | |
| Canonical SMILES | [Na].O=C(O)P(=O)(O)O | CAS Common Chemistry |
| InChI | InChI=1S/CH3O5P.3Na/c2-1(3)7(4,5)6;;;/h(H,2,3)(H2,4,5,6);;; | CAS Common Chemistry |
| InChI Key | InChIKey=HQJDOEQZQFFYNG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | >250 °C | CAS Common Chemistry |
| Name | Foscarnet sodium | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 94.83 Ų | RDKit |
| LogP | -1.3003000000000002 | RDKit |
| -1.3003 | RDKit | |
| Molar Refractivity | 37.33090000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 194.94111766599997 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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.
External Resources
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MW = 194.97 g/mol. Edit any field — others recompute live.
