1. Primary Information
| English name: | Aspartic Acid |
| CAS No.: | 25608-40-6 |
| Molecular formula: | C4H7NO4 |
| Molecular weight: | 133.10 g/mol |
| SMILES: | C(C(C(=O)O)N)C(=O)O |
| Structural class: | |
| Other identifiers: |
(+-)-Aspartic Acid (R,S)-Aspartic Acid Ammonium Aspartate Aspartate Aspartate Magnesium Hydrochloride |
2. Suppliers & Pricing
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(2S)-2-aminobutanedioic acid
4.2 InChI
InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1
4.3 InChIKey
CKLJMWTZIZZHCS-REOHCLBHSA-N
4.4 Canonical SMILES
C(C(C(=O)O)N)C(=O)O
4.5 Isomeric SMILES
C([C@@H](C(=O)O)N)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
