1. Primary Information
| English name: | 2,2,3-Trideuterio-3-hydroxybutanedioic acid |
| CAS No.: | 104596-63-6 |
| Molecular formula: | C4H6O5 |
| Molecular weight: | 137.11 g/mol |
| SMILES: | C(C(C(=O)O)O)C(=O)O |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 1mg | 纯度：99%,丰度98% | 2000 | 2-8°C | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
2,2,3-trideuterio-3-hydroxybutanedioic acid
4.2 InChI
InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/i1D2,2D
4.3 InChIKey
BJEPYKJPYRNKOW-FUDHJZNOSA-N
4.4 Canonical SMILES
C(C(C(=O)O)O)C(=O)O
4.5 Isomeric SMILES
[2H]C([2H])(C(=O)O)C([2H])(C(=O)O)O
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
