4-Amino-7-(β-D-Ribofuranosyl)-7H-Pyrrolo[2,3-D]Pyrimidine-5-Carbothioamide

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Properties Simple | Detailed

Formula C12H15N5O4S
IUPAC Name 4-amino-7-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrrolo[2,3-d]pyrimidine-1,3-diium-4a-ide-5-carbothioamide
Molecular Mass 325.344 g·mol−1
Heat of Formation -447.4 ± 16.7 kJ·mol−1
Dipole Moment 3.09 ± 1.08 D
Volume 354.26 Å 3
Surface Area 296.4 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy 1.98 ± eV
Point Group Symmetry C1
Synonyms
  • 4-amino-7-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-5-pyrrolo[4,5-e]pyrimidinecarbothioamide
  • 4-amino-7-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[4,5-e]pyrimidine-5-carbothioamide
  • 4-amino-7-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrrolo[4,5-e]pyrimidine-5-carbothioamide
  • 4-amino-7-[(2r,3r,4s,5r)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]pyrrolo[4,5-e]pyrimidine-5-carbothioamide
  • 7h-pyrrolo(2,3-d)pyrimidine-5-carbothioamide, 4-amino-7-beta-d-ribofuranosyl- (9ci)
  • 7h-pyrrolo(2,3-d)pyrimidine-5-carboxamide, 4-amino-7-beta-d-ribofuranosylthio-
  • {7h-pyrrolo[2,3-d]pyrimidine-5-carbothioamide,} 4-amino-7-.beta.-d-ribofuranosyl-
InChIKey XZOKDXWQSCIKCM-JTFADIMSSA-N
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