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CAS 94944-70-4

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1-[5-[(1R,2S,3R)-1,2,3,4-Tetrahydroxybutyl]-1H-imidazol-2-yl]ethanone

Description:
1-[5-[(1R,2S,3R)-1,2,3,4-Tetrahydroxybutyl]-1H-imidazol-2-yl]ethanone, with the CAS number 94944-70-4, is a chemical compound characterized by its complex structure that includes an imidazole ring and a tetrahydroxybutyl group. This compound features multiple hydroxyl (-OH) functional groups, which contribute to its hydrophilicity and potential for forming hydrogen bonds, influencing its solubility and reactivity. The presence of the imidazole moiety suggests potential biological activity, as imidazole derivatives are often found in pharmaceuticals and biochemicals. The stereochemistry indicated by the (1R,2S,3R) configuration suggests specific spatial arrangements that may affect the compound's interaction with biological targets. Additionally, the ethanone functional group indicates the presence of a ketone, which can participate in various chemical reactions, including nucleophilic additions. Overall, this compound's unique structural features may confer specific properties and applications in medicinal chemistry and biochemistry, warranting further investigation into its potential uses.
Formula:C9H14N2O5
InChI:InChI=1/C9H14N2O5/c1-4(13)9-10-2-5(11-9)7(15)8(16)6(14)3-12/h2,6-8,12,14-16H,3H2,1H3,(H,10,11)/t6-,7-,8-/m1/s1
InChI key:InChIKey=CQSIXFHVGKMLGQ-BWZBUEFSSA-N
SMILES:[C@@H]([C@@H]([C@@H](CO)O)O)(O)C=1NC(C(C)=O)=NC1
Synonyms:
  • Ethanone, 1-[4-(1,2,3,4-tetrahydroxybutyl)-1H-imidazol-2-yl]-, [1R-(1R*,2S*,3R*)]-
  • THI
  • Ethanone, 1-[5-[(1R,2S,3R)-1,2,3,4-tetrahydroxybutyl]-1H-imidazol-2-yl]-
  • 1-[5-[(1R,2S,3R)-1,2,3,4-Tetrahydroxybutyl]-1H-imidazol-2-yl]ethanone
  • See more synonyms
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