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/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)

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)