1. Primary Information
| English name: | N-Acetyl-L-aspartic acid |
| CAS No.: | 997-55-7 |
| Molecular formula: | C6H9NO5 |
| Molecular weight: | 175.14 g/mol |
| SMILES: | CC(=O)NC(CC(=O)O)C(=O)O |
| Structural class: | |
| Other identifiers: |
acetyl aspartic acid N-acetyl aspartate N-acetyl-L-aspartate N-acetylaspartate N-acetylaspartate, monopotassium salt |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 1g | 98% | 22 | RT | in stock | - |
| Kehua Intelligence | 5g | 98% | 83 | RT | in stock | - |
| Kehua Intelligence | 25g | 98% | 358 | RT | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(2S)-2-acetamidobutanedioic acid
4.2 InChI
InChI=1S/C6H9NO5/c1-3(8)7-4(6(11)12)2-5(9)10/h4H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12)/t4-/m0/s1
4.3 InChIKey
OTCCIMWXFLJLIA-BYPYZUCNSA-N
4.4 Canonical SMILES
CC(=O)NC(CC(=O)O)C(=O)O
4.5 Isomeric SMILES
CC(=O)N[C@@H](CC(=O)O)C(=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
