4-Amino-6-Bromo-7-(β-L-Xylofuranosyl)-7H-Pyrrolo[2,3-D]Pyrimidine-5-Carboxamide

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Formula C12H14BrN5O5
IUPAC Name 4-amino-6-bromo-7-[(2s,3s,4s,5s)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide
Molecular Mass 388.174 g·mol−1
Heat of Formation -679.1 ± 16.7 kJ·mol−1
Dipole Moment 2.01 ± 1.08 D
Volume 354.86 Å 3
Surface Area 304.45 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy 2.18 ± eV
Point Group Symmetry C1
Synonyms
  • 4-amino-6-bromo-7-[(2s,3s,4s,5s)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-5-pyrrolo[4,5-e]pyrimidinecarboxamide
  • 4-amino-6-bromo-7-[(2s,3s,4s,5s)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrrolo[4,5-e]pyrimidine-5-carboxamide
  • 4-amino-6-bromo-7-[(2s,3s,4s,5s)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]pyrrolo[4,5-e]pyrimidine-5-carboxamide
InChIKey DMXIHKQKBYZIHM-YJMZUNRSSA-N
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Elements H C Br O N