2-[(4-Amino-5-Bromo-7H-Pyrrolo[2,3-D]Pyrimidin-7-Yl)Methoxy]Ethanol

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Properties Simple | Detailed

Formula C9H11BrN4O2
IUPAC Name 2-[(4-amino-5-bromo-pyrrolo[2,3-d]pyrimidin-7-ium-7-yl)methoxy]ethanol
Molecular Mass 287.113 g·mol−1
Heat of Formation -104.6 ± 16.7 kJ·mol−1
Dipole Moment 2.90 ± 1.08 D
Volume 270.74 Å 3
Surface Area 256.19 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy -0.44 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(4-amino-5-bromo-7-pyrrolo[2,3-d]pyrimidinyl)methoxy]ethanol
  • 2-[(4-amino-5-bromo-pyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethanol
  • 2-[(4-amino-5-bromopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethanol
  • 4-amino-5-bromo-7-(2-hydroxyethoxymethyl)pyrrolo(2,3-d)pyrimidine
  • 4-amino-5-bromo-7-[(2- hydroxyethoxy)methyl]pyrrolo[2,3-d]pyrimidine
  • 5-bromo acyclic tubercidin
  • abhempp
  • ethanol, 2-((4-amino-5-bromo-7h-pyrrolo(2,3-d)pyrimidin-7-yl)methoxy)-
CAS Number(s)
  • 115093-88-4
InChIKey RMOPBCMNPLURLP-UHFFFAOYSA-N
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Elements H C O Br N