Threonine (data page)

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The complete data for Threonine
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General information
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Chemical formula : C 4 H 9 N O 3 
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 codeThreonine %28data page%29
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)

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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)