Molecular properties
- Formula
- C4H9NO3
- Molar mass
- 119.12 g·mol−1
- Exact mass
- 119.0582 Da
- 1
- 3
- 4
- 83.60 Ų
- -2.9 (PubChem computed XLogP3-AA descriptor)
- CAS
- 72-19-5
- PubChem CID
- 6288
Molecule record
threonine
C4H9NO3
119.12 g/mol
Interactions
- Polarity
- Often polar; exact polarity depends on size, substitution, and ionization state.
- Acid-base behavior
- Review ionizable groups and pKa data where available; ChemForge does not infer definitive acid-base state from identity alone.
- Intermolecular forces
- Assess dispersion, dipole interactions, hydrogen bonding, and ionic character from the functional groups shown.
Functional groups
Alcohol
Amine
Carboxylic acid
Physical properties
| Property | Value | Conditions | Source |
|---|---|---|---|
| Logp | -2.9 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- (2S)-threonine
- (2S,3R)-(-)-Threonine
- (2S,3R)-2-Amino-3-hydroxybutyric acid
- (2S,3R)-2-amino-3-hydroxybutanoic acid
- (S)-Threonine
- 2-amino-3-hydroxybutyric acid
- 2ZD004190S
- 72-19-5
Show all 23 synonyms
- CHEBI:16857
- DTXCID0026412
- DTXSID2046412
- FEMA NO. 4710
- L-(-)-Threonine
- L-2-Amino-3-hydroxybutyric acid
- L-Threonin
- L-alpha-Amino-beta-hydroxybutyric acid
- L-thr
- L-threonine
- NSC-16589
- NSC-46701
- Threonin
- Threoninum
- Treonina
Structure identifiers
- Canonical SMILES
- C[C@H]([C@@H](C(=O)O)N)O
- Isomeric SMILES
- C[C@H]([C@@H](C(=O)O)N)O
- InChI
- InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1
- InChIKey
- AYFVYJQAPQTCCC-GBXIJSLDSA-N
- PubChem CID
- 6288
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
Simulated FTIR trace
Predicted FTIR / %T
4 cm-1 resolution / deterministic instrument profile
Hover for cursor
Peak assignments
3350 cm−1broad O-H (simulated)
3000 cm−1broad acid O-H (simulated)
1710 cm−1C=O acid (simulated)
2960 cm−1sp3 C-H (simulated)
Simulated NMR
On-demand educational prediction for threonine; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for threonine; not experimental data.
Sources
Molecule identity
Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.
simulated IR
ChemForge original educational simulation.