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Fosfomycin Tromethamine
CAS: 78964-85-9 | C7H18NO7P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
78964-85-9
Molecular Formula:
C7H18NO7P
Molecular Mass:
259.20 g/mol
Names and Synonyms:
Fosfomycin Tromethamine
Phosphonic acid, P-[(2R,3S)-3-methyl-2-oxiranyl]-, compd. with 2-amino-2-(hydroxymethyl)-1,3-propanediol (1:1)
Phosphonic acid, (3-methyloxiranyl)-, (2R-cis)-, compd. with 2-amino-2-(hydroxymethyl)-1,3-propanediol (1:1)
Phosphonic acid, [(2R,3S)-3-methyloxiranyl]-, compd. with 2-amino-2-(hydroxymethyl)-1,3-propanediol (1:1)
1,3-Propanediol, 2-amino-2-(hydroxymethyl)-, (2R-cis)-(3-methyloxiranyl)phosphonate (1:1) (salt)
1,3-Propanediol, 2-amino-2-(hydroxymethyl)-, [(2R,3S)-3-methyloxiranyl]phosphonate (1:1) (salt)
Fosfomycin compd. with trometamol
Z 1282
Monuril
Fosfomycin trometamol salt
Tromethamine-fosfomycin
Fosfomycin trometamol
Fosfomycin tromethamine
Phosphonomycin monotrometamol
Monurol Sachet
Monurol
Fosfotricin
Identifiers:
SMILES:
C[C@@H]1O[C@@H]1P(=O)(O)O.NC(CO)(CO)CO
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
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 | 259.20 g/mol | CAS Common Chemistry |
| 259.19499999999994 g/mol | RDKit | |
| 259.082088546 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 |
| LogP | -2.4302999999999986 | RDKit |
| Molar Refractivity | 54.55490000000003 | RDKit |
