Aspartic acid (data page)

The complete data for Aspartic acid
	General information Chemical formula: C4H7NO4 Molar mass: 133.102 g·mol^−1 Systematic name: (2S)-2-aminobutanedioic acid Synonyms: AIDS{-}001654 AIDS001654 {(α/2)/(DL)}-aminosuccinic acid (DL)-Asparagic acid (DL)-Asparaginic acid Aspartate {(+-)/(DL)/(RS)}-Aspartic acid CHEBI:22660 CHEMBANK2882 CPD-302 NSC141379 NSC167399 NSC3973 NSC620336 NSC79553 NSC97922 Spartase
Database data
SMILES: D - C([C@H](C(=O)O)N)C(=O)O; L - C([C@@H](C(=O)O)N)C(=O)O; InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/f/h6,8H ATC: N/A CAS: [56-84-8] DrugBank: N/A EINECS: 200-291-6 PubChem: 83887 (D)^a , 5960 (L)^a
Physical properties
Structure Crystal data Spectral data UV-Vis IR NMR MS - Masses of main fragments: GMD MS Spectrum Phase behavior Solid properties ρsolid: 1.66 g.cm^−3 Tm: 270-271 °C Liquid properties Gas properties
Hazard properties
MSDS N/A Main hazards: - N/A NFPA 704 Flash point - N/A R/S statement R: N/A S: N/A RTECS number: N/A
Chemical properties
XLogP: -3.236 pI: 2.77 pKa: 1.95; 3.71; 9.66 Tautomers: Hydrogen bond: donor - 3;  acceptor - 5
Pharmacological properties
Except where noted otherwise, data are given for materials in their standard state (at 25 °C, 100 kPa)

References

1. ^a CID 424 from PubChem — racemic
2. ^a CID 83887 from PubChem — (D-aspartic acid)
3. ^a CID 5960 from PubChem — (L-aspartic acid)
4. ^a CID 450566 from PubChem — C(C(C(=O)O)N)[11C](=O)O
5. ^a CID 450604 from PubChem — C(C(C(=O)O)[13NH2])C(=O)O