L-Threonine | SBID = 1387 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 83.6 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | -2.9 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 3.0 | ||
| Number of H-Bond Acceptors: | 4.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 2.0 | ||
| 3D Volume/Å3: | 88.9 | ||
| Sum Formula: | C4H9NO3 | ||
| M / g/mol: | 119.12 | ||
| Complexity: | 93.0 | ||
| Number of Conformers: | 9.0 |
Identifiers
- Tags:
- Name: L-Threonine
- Preferred Abbreviation: L-Threonine
- IUPAC Name: (2S,3R)-2-amino-3-hydroxybutanoic acid
- CAS: 72-19-5
- CID: 6288
- InChiKey: AYFVYJQAPQTCCC-GBXIJSLDSA-N
- InChi: InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1
- CanoSmiles: CC(C(C(=O)O)N)O
- IsoSmiles: C[C@H]([C@@H](C(=O)O)N)O
