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

CAS Registry Number®

94944-70-4

CAS Name

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

Molecular Formula

C9H14N2O5

Molecular Mass

230.22

Cite this Page

1-[5-[(1R,2S,3R)-1,2,3,4-Tetrahydroxybutyl]-1H-imidazol-2-yl]ethanone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=94944-70-4 (retrieved 2024-11-23) (CAS RN: 94944-70-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    233-235 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/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

InChIKey

InChIKey=CQSIXFHVGKMLGQ-BWZBUEFSSA-N

SMILES

[C@@H]([C@@H]([C@@H](CO)O)O)(O)C=1NC(C(C)=O)=NC1

Canonical SMILES

O=C(C1=NC=C(N1)C(O)C(O)C(O)CO)C

Other Names for this Substance

  • Ethanone, 1-[5-[(1R,2S,3R)-1,2,3,4-tetrahydroxybutyl]-1H-imidazol-2-yl]-
  • Ethanone, 1-[4-(1,2,3,4-tetrahydroxybutyl)-1H-imidazol-2-yl]-, [1R-(1R*,2S*,3R*)]-
  • 1-[5-[(1R,2S,3R)-1,2,3,4-Tetrahydroxybutyl]-1H-imidazol-2-yl]ethanone
  • THI

CAS INSIGHTSTM
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