1-(5-Amino-5-Deoxy-β-D-Ribofuranosyl)-3-Bromo-1H-Pyrazolo[3,4-D]Pyrimidin-4-Amine

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Properties Simple | Detailed

Formula C10H14BrN6O3
IUPAC Name (2r,3r,4s,5r)-2-(4-amino-3-bromo-pyrazolo[3,4-d]pyrimidine-5,7-diium-3a-id-1-yl)-5-(aminomethyl)tetrahydrofuran-3,4-diol
Molecular Mass 346.161 g·mol−1
Heat of Formation -196.7 ± 16.7 kJ·mol−1
Dipole Moment 4.60 ± 1.08 D
Volume 322.87 Å 3
Surface Area 284.95 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy -1.14 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5r)-2-(4-amino-3-bromo-1-pyrazolo[4,5-e]pyrimidinyl)-5-(aminomethyl)tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5r)-2-(4-amino-3-bromo-pyrazolo[4,5-e]pyrimidin-1-yl)-5-(aminomethyl)oxolane-3,4-diol
  • (2r,3r,4s,5r)-2-(4-amino-3-bromo-pyrazolo[4,5-e]pyrimidin-1-yl)-5-(aminomethyl)tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5r)-2-(4-amino-3-bromopyrazolo[4,5-e]pyrimidin-1-yl)-5-(aminomethyl)oxolane-3,4-diol
  • 1-(5-amino-5-deoxy-beta-d-ribofuranosyl)-3-bromo-1h-pyrazolo(3,4-d)pyrimidin-4-amine
  • 1h-pyrazolo(3,4-d)pyrimidin-4-amine, 1-(5-amino-5-deoxy-beta-d-ribofuranosyl)-3-bromo-
  • 4-amino-1-(5-amino-5-deoxy-1-beta-d-ribofuranosyl)-3-bromopyrazolo(3,4-d)pyrimidine
  • adenosine kinase inhibitor gp515
  • gp 1-515
  • gp-1-515
  • gp515
CAS Number(s)
  • 144928-48-3
InChIKey LTTBFVDMHCIDPM-BHBWVORQSA-N
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