1-{2-Methyl-5-[(1R,2S,3R)-1,2,3,4-Tetrahydroxybutyl]-1H-Pyrrol-3-Yl}Ethanone

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Formula C11H17NO5
IUPAC Name 1-[2-methyl-5-[(1r,2s,3r)-1,2,3,4-tetrahydroxybutyl]pyrrol-1-ium-5-ylium-3-yl]ethanone
Molecular Mass 243.256 g·mol−1
Heat of Formation -935.9 ± 16.7 kJ·mol−1
Dipole Moment 2.76 ± 1.08 D
Volume 286.03 Å 3
Surface Area 257.86 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy 3.22 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[2-methyl-5-[(1r,2s,3r)-1,2,3,4-tetrahydroxybutyl]-1h-pyrrol-3-yl]ethanone
  • 3-acetyl-5-(d-arabino-tetrahydrobutyl)-2-methylpyrrole
  • ver i
  • wer i
CAS Number(s)
  • 54351-43-8
  • 6118-39-4
InChIKey OTGHXPARZDXDIM-GMTAPVOTSA-N
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