5-Pentofuranosyl-5H-Imidazo[1,2-B]Pyrazole-7-Carbonitrile

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Properties Simple | Detailed

Formula C11H12N4O4
IUPAC Name 5-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]imidazo[1,2-b]pyrazole-4,5-diium-7-carbonitrile
Molecular Mass 264.237 g·mol−1
Heat of Formation -196.1 ± 16.7 kJ·mol−1
Dipole Moment 7.94 ± 1.08 D
Volume 288.62 Å 3
Surface Area 250.33 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy -0.99 ± eV
Point Group Symmetry C1
Synonyms
  • 5-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-7-pyrazolo[2,3-a]imidazolecarbonitrile
  • 5-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[2,3-a]imidazole-7-carbonitrile
  • 5-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrazolo[2,3-a]imidazole-7-carbonitrile
  • 5-[(2r,3r,4s,5r)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]pyrazolo[2,3-a]imidazole-7-carbonitrile
InChIKey IWEWSFDFHCUIMR-TURQNECASA-N
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