Aspartic acid (data page)

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The complete data for Aspartic acid
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Chemical structure of Aspartic acidChemical structure of the amino acid aspartate
General information
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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
Flammability (red): no hazard code Health (blue): no hazard code Reactivity (yellow): no hazard code Special hazards (white): no codeNFPA 704 four-colored diamond
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[edit]

  1. ^a CID 424 from PubChemracemic
  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