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Molecule
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
Identifiers
CAS Registry Number
23155-02-4
SMILES
C[C@@H]1O[C@@H]1P(=O)(O)O
InChI Key
YMDXZJFXQJVXBF-STHAYSLISA-N
InChI
InChI=1S/C3H7O4P/c1-2-3(7-2)8(4,5)6/h2-3H,1H3,(H2,4,5,6)/t2-,3+/m0/s1
Names and Synonyms
- Fosfomycin Common Name
- Phosphonic acid, P-[(2R,3S)-3-methyl-2-oxiranyl]- Synonym
- Phosphonic acid, (1,2-epoxypropyl)-, (1R,2S)-(-)- Synonym
- Phosphonic acid, (3-methyloxiranyl)-, (2R-cis)- Synonym
- Phosphonic acid, [(2R,3S)-3-methyloxiranyl]- Synonym
- P-[(2R,3S)-3-Methyl-2-oxiranyl]phosphonic acid Synonym
- Phosphonomycin Synonym
- Antibiotic 833A Synonym
- Fosfomycin Synonym
- (-)-(cis-1,2-Epoxypropyl)phosphonic acid Synonym
- (2R-cis)-(3-Methyloxiranyl)phosphonic acid Synonym
- (-)-(1R,2S)-(1,2-Epoxypropyl)phosphonic acid Synonym
- Fosfonomycin Synonym
- Fosfocina Synonym
- Phosphomycin Synonym
- MK 0955 Synonym
- Fosfomicin Synonym
- Levo-phosphonomycin Synonym
- (-)-Phosphonomycin Synonym
- [(2R,3S)-3-Methyloxiranyl]phosphonic acid Synonym
- Infectophos Synonym
- ZTI 01 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 138.06 g/mol | CAS Common Chemistry |
| 138.059 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 |
| -0.0911 | RDKit | |
| Molar Refractivity | 26.37909999999999 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 138.008195334 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
120
100
80
60
40
20
0 ppm
| 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.
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MW = 138.06 g/mol. Edit any field — others recompute live.
