Histidinol | SBID = 727 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 74.9 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | -1.2 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 3.0 | ||
| Number of H-Bond Acceptors: | 3.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 1.0 | ||
| 3D Volume/Å3: | 111.4 | ||
| Sum Formula: | C6H11N3O | ||
| M / g/mol: | 141.17 | ||
| Complexity: | 99.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: aromatic, typical guest
- Name: Histidinol
- Preferred Abbreviation: Histidinol
- IUPAC Name: 2-amino-3-(1H-imidazol-5-yl)propan-1-ol
- CAS: 501-28-0
- CID: 776
- InChiKey: ZQISRDCJNBUVMM-UHFFFAOYSA-N
- InChi: InChI=1S/C6H11N3O/c7-5(3-10)1-6-2-8-4-9-6/h2,4-5,10H,1,3,7H2,(H,8,9)
- CanoSmiles: C1=C(NC=N1)CC(CO)N
- IsoSmiles: C1=C(NC=N1)CC(CO)N
