Netica Solution

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
 PubChem: 69435 (D)
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 [...]