L-Histidine | SBID = 596 | Compound |
Structure
Molecular Properties
| Interactions: | 9 | ||
| PubChem TPSA/Å2: | 92.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | -3.2 | ||
| 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): | 1.0 | ||
| 3D Volume/Å3: | 117.2 | ||
| Sum Formula: | C6H9N3O2 | ||
| M / g/mol: | 155.15 | ||
| Complexity: | 151.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: aromatic, amino acid, typical guest
- Name: L-Histidine
- Preferred Abbreviation: L-His
- IUPAC Name: (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid
- CAS: 71-00-1
- CID: 6274
- InChiKey: HNDVDQJCIGZPNO-YFKPBYRVSA-N
- InChi: InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m0/s1
- CanoSmiles: C1=C(NC=N1)CC(C(=O)O)N
- IsoSmiles: C1=C(NC=N1)C[C@@H](C(=O)O)N
