1. Primary Information
| English name: | rac Fosfomycin-13C3 Benzylamine Salt |
| CAS No.: | 1216461-18-5 |
| Molecular formula: | C10H16NO4P |
| Molecular weight: | 248.19 g/mol |
| SMILES: | CC1C(O1)P(=O)(O)O.C1=CC=C(C=C1)CN |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 1mg | - | 5440 | -20°C | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
Coming soon
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(3-(113C)methyl(2,3-13C2)oxiran-2-yl)phosphonic acid;phenylmethanamine
4.2 InChI
InChI=1S/C7H9N.C3H7O4P/c8-6-7-4-2-1-3-5-7;1-2-3(7-2)8(4,5)6/h1-5H,6,8H2;2-3H,1H3,(H2,4,5,6)/i;1+1,2+1,3+1
4.3 InChIKey
YFOCHWJDRUXOIQ-BURVIEGVSA-N
4.4 Canonical SMILES
CC1C(O1)P(=O)(O)O.C1=CC=C(C=C1)CN
4.5 Isomeric SMILES
[13CH3][13CH]1[13CH](O1)P(=O)(O)O.C1=CC=C(C=C1)CN
4.6 SDF file
Coming soon
5. Spectroscopic data
5.1 13C nuclear magnetic resonance (13C NMR)
5.2 1H nuclear magnetic resonance (1H NMR)
5.3 Mass spectrometry (MS)
Coming soon
5.4 Infrared spectroscopy (IR)
Coming soon
5.5 Ultraviolet/visible spectroscopy (UV/Vis)
Coming soon
-- No 3D model data available --
