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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
Names and Synonyms:
Fosfomycin Sodium
Phosphonic acid, P-[(2R,3S)-3-methyl-2-oxiranyl]-, sodium salt (1:2)
Phosphonic acid, (1,2-epoxypropyl)-, disodium salt, (1R,2S)-(-)-
Phosphonic acid, (3-methyloxiranyl)-, disodium salt, (2R-cis)-
Phosphonic acid, [(2R,3S)-3-methyloxiranyl]-, disodium salt
Disodium phosphonomycin
Disodium fosfomycin
Fosfomycin disodium
Phosphonomycin disodium salt
Fosfomycin sodium salt
Fosfomycin sodium
Fosfomycin disodium salt
Phosphonomycin sodium
Sodium fosfomycin
Phosphomycin sodium
Fosmicin S
Fosfocin
FOM-Na
Forocyle S
NSC 136017
Levo-phosphonomycin disodium salt
Identifiers:
SMILES:
C[C@@H]1O[C@@H]1P(=O)(O)O.[Na].[Na]
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
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 | 184.04 g/mol | CAS Common Chemistry |
| 184.03900000000002 g/mol | RDKit | |
| 183.98773389399997 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 37.887100000000004 | RDKit |
