5-Bromo-7-(β-D-Ribofuranosyl)-7H-Pyrrolo[2,3-D]Pyrimidin-4-Amine

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Properties Simple | Detailed

Formula C11H13BrN4O4
IUPAC Name (2r,3r,4s,5r)-2-(4-amino-5-bromo-pyrrolo[2,3-d]pyrimidin-7-ium-7-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Molecular Mass 345.149 g·mol−1
Heat of Formation -486.1 ± 16.7 kJ·mol−1
Dipole Moment 3.96 ± 1.08 D
Volume 322.27 Å 3
Surface Area 278.02 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -0.94 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5r)-2-(4-amino-5-bromo-7-pyrrolo[3,2-e]pyrimidinyl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5r)-2-(4-amino-5-bromo-pyrrolo[3,2-e]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
  • (2r,3r,4s,5r)-2-(4-amino-5-bromo-pyrrolo[3,2-e]pyrimidin-7-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5r)-2-(4-amino-5-bromo-pyrrolo[3,2-e]pyrimidin-7-yl)-5-methylol-tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5r)-2-(4-amino-5-bromopyrrolo[3,2-e]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
  • 5-bromotubercidin
  • 5-bromotubericidin
  • 7h-pyrrolo(2,3-d)pyrimidin-4-amine, 5-bromo-7-beta-d-ribofuranosyl-
  • bromotubercidin
CAS Number(s)
  • 21193-61-3
InChIKey ZWTPRQXZXQEKFT-IOSLPCCCSA-N
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