1-(5-((1R,2S,3R)-1,2,3,4-Tetrahydroxybutyl)-1H-imidazol-2-yl)ethanone
1-[5-[(1R,2S,3R)-1,2,3,4-tetrahydroxybutyl]-1H-imidazol-2-yl]ethanone
Also Known As: 2-Athbi|2-Acetyl-4(5)-tetrahydroxybutylimidazole|2-Acetyl-4-tetrahydroxybutylimidazole|(2E)-hexadecenal(d5)|2-acetyl-4-tetrahydroxybutyl imidazole|2-Acetyl-5-tetrahydroxybutyl Imidazole|GTPL6626|THI|MSK157273-100A|2-Acetyl-5-(tetrahydroxybutyl)imidazole|2-Acetyltetrahydroxybutylimidazole, (1R,2S,3R)-|EC-000.1919|1-[5-[(1R,2S,3R)-1,2,3,4-tetrahydroxybutyl]-1H-imidazol-2-yl]ethanone|2-acetyl-4(5)-tetrahydroxybutyl imidazole|SID:484211504|1-(5-((1R,2S,3R)-1,2,3,4-Tetrahydroxybutyl)-1H-imidazol-2-yl)ethanone|2-Acetyl-4(5)-(1,2,3,4-tetrahydroxybutyl)imidazole
| Molecular Formula | C9H14N2O5 |
|---|---|
| Molecular Weight | 230.09027 g/mol |
| LogP | -1.64 |
| Topological Polar Surface Area | 126.67 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 230.09027 |
| Heavy Atoms | 16 |
| Complexity | 364.5 |
Chemical Identifiers
| CAS Number | 94944-70-4 |
|---|---|
| SMILES | CC(=O)C1=NC=C(N1)[C@H]([C@@H]([C@@H](CO)O)O)O |
Product Overview
1-(5-((1R,2S,3R)-1,2,3,4-Tetrahydroxybutyl)-1H-imidazol-2-yl)ethanone (CAS 94944-70-4), with molecular formula C9H14N2O5 and molecular weight 230.09027 g/mol. IUPAC: 1-[5-[(1R,2S,3R)-1,2,3,4-tetrahydroxybutyl]-1H-imidazol-2-yl]ethanone.
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