Threonine (data page)

The complete data for Threonine ()

General information

Chemical formula: C₄H₉N O₃
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

T_m: 256 °C

Liquid properties

Gas properties

Hazard properties

MSDS

N/A

Main hazards:

- N/A

NFPA 704

Flash point

- N/A

RTECS number:
N/A

Chemical properties

XLogP: -3.036

pI: 5.60

pK_a: 2.20, 8.96

Tautomers:

Hydrogen bond: donor - 3; acceptor - 4

Pharmacological properties

This box:

Except where noted otherwise, data relate to Standard temperature and pressure.
Reliability of data general note.

References

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