7-(β-D-Ribofuranosyl)-1,7-Dihydroimidazo[4,5-C][1,2,6]Thiadiazin-4(3H)-One 2,2-Dioxide

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Properties Simple | Detailed

Formula C9H12N4O7S
IUPAC Name 7-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2,2-dioxo-1h-imidazo[4,5-c][1,2,6]thiadiazin-7-ium-5-id-4-one
Molecular Mass 320.279 g·mol−1
Heat of Formation -1034.5 ± 16.7 kJ·mol−1
Dipole Moment 8.51 ± 1.08 D
Volume 314.14 Å 3
Surface Area 278.51 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy -0.79 ± eV
Point Group Symmetry C1
Synonyms
  • 13a
  • 7-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-2,2-dioxo-1h-imidazo[4,5-d][1,2,6]thiadiazin-4-one
  • 7-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,2-dioxo-1h-imidazo[4,5-d][1,2,6]thiadiazin-4-one
  • 7-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2,2-dioxo-1h-imidazo[4,5-d][1,2,6]thiadiazin-4-one
  • 7-[(2r,3r,4s,5r)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-2,2-diketo-1h-imidazo[4,5-d][1,2,6]thiadiazin-4-one
InChIKey IHLOTZVBEUFDMD-UUOKFMHZSA-N
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