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
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
By properties
Polar, uncharged
Positive charge (pKa)
Lysine (≈10.8) · Arginine (≈12.5) · Histidine (≈6.1)
Negative charge (pKa)
Aspartic acid (≈3.9) · Glutamic acid (≈4.1) · Cysteine (≈8.3) · Tyrosine (≈10.1)
General
Other classifications
biochemical families: prot · nucl · carb (glpr, alco, glys) · lipd (fata/i, phld, strd, gllp, eico) · amac/i · ncbs/i · ttpy/i