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Molecule
Fosfomycin Sodium
CAS: 26016-99-9 · C3H7Na2O4P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 26016-99-9
- Molecular Formula
- C3H7Na2O4P
- Molecular Mass
- 184.04 g/mol
Identifiers
CAS Registry Number
26016-99-9
SMILES
C[C@@H]1O[C@@H]1P(=O)(O)O.[Na].[Na]
InChI Key
XKMSQWKOGZTAQM-JSTPYPERSA-N
InChI
InChI=1S/C3H7O4P.2Na/c1-2-3(7-2)8(4,5)6;;/h2-3H,1H3,(H2,4,5,6);;/t2-,3+;;/m0../s1
Names and Synonyms
- Fosfomycin Sodium Synonym
- Phosphonic acid, P-[(2R,3S)-3-methyl-2-oxiranyl]-, sodium salt (1:2) Synonym
- Phosphonic acid, (1,2-epoxypropyl)-, disodium salt, (1R,2S)-(-)- Synonym
- Phosphonic acid, (3-methyloxiranyl)-, disodium salt, (2R-cis)- Synonym
- Phosphonic acid, [(2R,3S)-3-methyloxiranyl]-, disodium salt Synonym
- Disodium phosphonomycin Synonym
- Disodium fosfomycin Synonym
- Fosfomycin disodium Synonym
- Phosphonomycin disodium salt Synonym
- Fosfomycin sodium salt Synonym
- Fosfomycin sodium Synonym
- Fosfomycin disodium salt Synonym
- Phosphonomycin sodium Synonym
- Sodium fosfomycin Synonym
- Phosphomycin sodium Synonym
- Fosmicin S Synonym
- Fosfocin Synonym
- FOM-Na Synonym
- Forocyle S Synonym
- NSC 136017 Synonym
- Levo-phosphonomycin disodium salt Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 184.04 g/mol | CAS Common Chemistry |
| 184.03900000000002 g/mol | RDKit | |
| 184.039 g/mol | RDKit | |
| 186.055 g/mol | chempirical lib | |
| Canonical SMILES | [Na].O=P(O)(O)C1OC1C | CAS Common Chemistry |
| InChI | InChI=1S/C3H7O4P.2Na/c1-2-3(7-2)8(4,5)6;;/h2-3H,1H3,(H2,4,5,6);;/t2-,3+;;/m0../s1 | CAS Common Chemistry |
| InChI Key | InChIKey=XKMSQWKOGZTAQM-JSTPYPERSA-N | CAS Common Chemistry |
| Name | Fosfomycin sodium | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 70.06 Ų | RDKit |
| LogP | -0.8527000000000002 | RDKit |
| -0.8527 | RDKit | |
| Molar Refractivity | 37.887100000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 183.98773389399997 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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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 = 184.04 g/mol. Edit any field — others recompute live.
