Threonine (data page)

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The complete data for Threonine

Image:Hight_setter_449px.gifSkeletal structure of L-Threonine 3D structure of L-Threonine		 General information

Chemical formula: C4H9NO3 
Molar mass: 119.12 g·mol-1
Systematic name:
(2S,3R)-2-Amino-3-hydroxybutanoic acid
Abbreviations: T, Thr
Synonyms:
none
Database data
SMILES: CC(O)C(N)C(=O)O
InChI=1/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1/f/h7H
 ATC: N/A  CAS: 72-19-5  DrugBank: N/A  EINECS: 200-774-1 [1]  PubChem: 69435 (D) [2], 6288 (L) [3]
Physical properties
Structure
 Crystal data
 Spectral data
UV-Vis
 IR
 NMR
 MS
Phase behavior
 Solid properties
Tm: 256 °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: -3.036 pI: 5.60 pKa: 2.20, 8.96 Tautomers: ? Hydrogen bond: donor - 3;   acceptor - 4;
Pharmacological properties
Except where noted otherwise, data are given for materials in their standard state (at 25 °C, 100 kPa)


[edit] References

  1. a  EINECS number 200-774-1 (Threonine)
  2. a  CID 69435 from PubChem (D-Threonine)
  3. a  CID 6288 from PubChem (L-Threonine)
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