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Molecule
Fosfomycin Tromethamine
CAS: 78964-85-9 · C7H18NO7P
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 78964-85-9
- Molecular Formula
- C7H18NO7P
- Molecular Mass
- 259.20 g/mol
Identifiers
CAS Registry Number
78964-85-9
SMILES
C[C@@H]1O[C@@H]1P(=O)(O)O.NC(CO)(CO)CO
InChI Key
QZJIMDIBFFHQDW-LMLSDSMGSA-N
InChI
InChI=1S/C4H11NO3.C3H7O4P/c5-4(1-6,2-7)3-8;1-2-3(7-2)8(4,5)6/h6-8H,1-3,5H2;2-3H,1H3,(H2,4,5,6)/t;2-,3+/m.0/s1
Names and Synonyms
- Fosfomycin Tromethamine Common Name
- Phosphonic acid, P-[(2R,3S)-3-methyl-2-oxiranyl]-, compd. with 2-amino-2-(hydroxymethyl)-1,3-propanediol (1:1) Synonym
- Phosphonic acid, (3-methyloxiranyl)-, (2R-cis)-, compd. with 2-amino-2-(hydroxymethyl)-1,3-propanediol (1:1) Synonym
- Phosphonic acid, [(2R,3S)-3-methyloxiranyl]-, compd. with 2-amino-2-(hydroxymethyl)-1,3-propanediol (1:1) Synonym
- 1,3-Propanediol, 2-amino-2-(hydroxymethyl)-, (2R-cis)-(3-methyloxiranyl)phosphonate (1:1) (salt) Synonym
- 1,3-Propanediol, 2-amino-2-(hydroxymethyl)-, [(2R,3S)-3-methyloxiranyl]phosphonate (1:1) (salt) Synonym
- Fosfomycin compd. with trometamol Synonym
- Z 1282 Synonym
- Monuril Synonym
- Fosfomycin trometamol salt Synonym
- Tromethamine-fosfomycin Synonym
- Fosfomycin trometamol Synonym
- Fosfomycin tromethamine Synonym
- Phosphonomycin monotrometamol Synonym
- Monurol Sachet Synonym
- Monurol Synonym
- Fosfotricin Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 259.20 g/mol | CAS Common Chemistry |
| 259.19499999999994 g/mol | RDKit | |
| 259.195 g/mol | RDKit | |
| Canonical SMILES | O=P(O)(O)C1OC1C.OCC(N)(CO)CO | CAS Common Chemistry |
| InChI | InChI=1S/C4H11NO3.C3H7O4P/c5-4(1-6,2-7)3-8;1-2-3(7-2)8(4,5)6/h6-8H,1-3,5H2;2-3H,1H3,(H2,4,5,6)/t;2-,3+/m.0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=QZJIMDIBFFHQDW-LMLSDSMGSA-N | CAS Common Chemistry |
| Name | Fosfomycin tromethamine | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 6 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 156.76999999999998 Ų | RDKit |
| 156.77 Ų | RDKit | |
| 167.06 Ų | chempirical lib | |
| LogP | -2.4302999999999986 | RDKit |
| -2.4303 | RDKit | |
| Molar Refractivity | 54.55490000000003 cm³/mol | RDKit |
| Formal Charge | 0 | chempirical lib |
| Ring Count | 1 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 259.082088546 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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.
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MW = 259.20 g/mol. Edit any field — others recompute live.
