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Fosfomycin
CAS: 23155-02-4 | C3H7O4P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
23155-02-4
Molecular Formula:
C3H7O4P
Molecular Weight:
138.059 g/mol
Names and Synonyms:
Fosfomycin
ZTI 01
Infectophos
[(2R,3S)-3-Methyloxiranyl]phosphonic acid
(-)-Phosphonomycin
Levo-phosphonomycin
Fosfomicin
MK 0955
Phosphomycin
Fosfocina
Fosfonomycin
(-)-(1R,2S)-(1,2-Epoxypropyl)phosphonic acid
(2R-cis)-(3-Methyloxiranyl)phosphonic acid
(-)-(cis-1,2-Epoxypropyl)phosphonic acid
Fosfomycin
Antibiotic 833A
Phosphonomycin
P-[(2R,3S)-3-Methyl-2-oxiranyl]phosphonic acid
Phosphonic acid, [(2R,3S)-3-methyloxiranyl]-
Phosphonic acid, (3-methyloxiranyl)-, (2R-cis)-
Phosphonic acid, (1,2-epoxypropyl)-, (1R,2S)-(-)-
Phosphonic acid, P-[(2R,3S)-3-methyl-2-oxiranyl]-
Identifiers:
SMILES:
C[C@@H]1O[C@@H]1P(=O)(O)O
InChI:
InChI=1S/C3H7O4P/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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 138.059 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 138.008195334 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 70.06 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.09110000000000007 | RDKit |
| molecular_mass | 138.06 g/mol | Legacy Database |
| cas-canonical-smile | O=P(O)(O)C1OC1C None | Legacy Database |
| cas-inchi | InChI=1S/C3H7O4P/c1-2-3(7-2)8(4,5)6/h2-3H,1H3,(H2,4,5,6)/t2-,3+/m0/s1 None | Legacy Database |
| cas-inchi-key | InChIKey=YMDXZJFXQJVXBF-STHAYSLISA-N None | Legacy Database |
| cas-melting-point | 94 °C None | Legacy Database |
| cas-name | Fosfomycin None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 26.37909999999999 | RDKit |
