5-Formamido-1-(2,3,5-Tri-O-Formyl-β-D-Ribofuranosyl)-1H-Imidazole-4-Carbothioamide

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Properties Simple | Detailed

Formula C13H14N4O8S
IUPAC Name [(2r,3r,4r,5r)-5-(4-carbamothioyl-5-formamido-imidazol-1-yl)-3,4-diformyloxy-tetrahydrofuran-2-yl]methyl formate
Molecular Mass 386.337 g·mol−1
Heat of Formation -1079.7 ± 16.7 kJ·mol−1
Dipole Moment 6.46 ± 1.08 D
Volume 407.21 Å 3
Surface Area 345.36 Å 2
HOMO Energy -8.52 ± 0.55 eV
LUMO Energy 2.04 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-imidazole-4-carbothioamide, 5-(formylamino)-1-(2,3,5-tri-o-formyl-beta-d-ribofuranosyl)-
  • 5-formamido-1-beta-d-ribofuranosylthioimidazole-4-carboxamide 2',3',5'-triformate
  • [(2r,3r,4r,5r)-2-(4-carbamothioyl-5-formamido-imidazol-1-yl)-4-formyloxy-5-(formyloxymethyl)tetrahydrofuran-3-yl] formate
  • [(2r,3r,4r,5r)-2-(4-carbamothioyl-5-formamido-imidazol-1-yl)-4-methanoyloxy-5-(methanoyloxymethyl)oxolan-3-yl] methanoate
  • formic acid [(2r,3r,4r,5r)-2-(4-carbamothioyl-5-formamido-1-imidazolyl)-4-formyloxy-5-(formyloxymethyl)-3-tetrahydrofuranyl] ester
  • formic acid [(2r,3r,4r,5r)-2-(5-formamido-4-thiocarbamoyl-imidazol-1-yl)-4-formyloxy-5-(formyloxymethyl)tetrahydrofuran-3-yl] ester
CAS Number(s)
  • 27115-90-8
InChIKey DQTIIYOPXVPKDM-QYVSTXNMSA-N
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