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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 Mass:
138.06 g/mol
Names and Synonyms:
Fosfomycin
Phosphonic acid, P-[(2R,3S)-3-methyl-2-oxiranyl]-
Phosphonic acid, (1,2-epoxypropyl)-, (1R,2S)-(-)-
Phosphonic acid, (3-methyloxiranyl)-, (2R-cis)-
Phosphonic acid, [(2R,3S)-3-methyloxiranyl]-
P-[(2R,3S)-3-Methyl-2-oxiranyl]phosphonic acid
Phosphonomycin
Antibiotic 833A
Fosfomycin
(-)-(cis-1,2-Epoxypropyl)phosphonic acid
(2R-cis)-(3-Methyloxiranyl)phosphonic acid
(-)-(1R,2S)-(1,2-Epoxypropyl)phosphonic acid
Fosfonomycin
Fosfocina
Phosphomycin
MK 0955
Fosfomicin
Levo-phosphonomycin
(-)-Phosphonomycin
[(2R,3S)-3-Methyloxiranyl]phosphonic acid
Infectophos
ZTI 01
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
Key Properties
Melting Point
94 °C
CAS Common Chemistry
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 | 138.06 g/mol | CAS Common Chemistry |
| 138.059 g/mol | RDKit | |
| 138.008195334 g/mol | RDKit | |
| Canonical SMILES | O=P(O)(O)C1OC1C | CAS Common Chemistry |
| InChI | InChI=1S/C3H7O4P/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=YMDXZJFXQJVXBF-STHAYSLISA-N | CAS Common Chemistry |
| Melting Point | 94 °C | CAS Common Chemistry |
| Name | Fosfomycin | CAS Common Chemistry |
| Heavy Atom Count | 8 | 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 | -0.09110000000000007 | RDKit |
| Molar Refractivity | 26.37909999999999 | RDKit |
