Threonine (data page)

The complete data for 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 a PubChem: 69435 (D) a, 6288 (L) a
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/AMain hazards:
- N/A
NFPA 704
Flammability (red): no hazard codeHealth (blue): no hazard codeReactivity (yellow): no hazard codeSpecial hazards (white): no code
Flash point
- N/A
 R/S statement
R: N/A
S: N/A
RTECS number:
N/A
Chemical properties
XLogP: -3.036pI: 5.60pKa: 2.20, 8.96Tautomers: 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)

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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