1-(2-Deoxy-β-D-Erythro-Pentofuranosyl)-1H-Pyrazolo[3,4-D]Pyrimidin-4-Amine

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Formula C10H13N5O3
IUPAC Name (2r,3s,5r)-5-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol
Molecular Mass 251.242 g·mol−1
Heat of Formation -259.7 ± 16.7 kJ·mol−1
Dipole Moment 3.58 ± 1.08 D
Volume 278.54 Å 3
Surface Area 248.62 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy -0.99 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,5r)-5-(4-amino-1-pyrazolo[5,4-d]pyrimidinyl)-2-(hydroxymethyl)-3-tetrahydrofuranol
  • (2r,3s,5r)-5-(4-aminopyrazolo[5,4-d]pyrimidin-1-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol
  • (2r,3s,5r)-5-(4-aminopyrazolo[5,4-d]pyrimidin-1-yl)-2-methylol-tetrahydrofuran-3-ol
InChIKey GQDCTRKQKKYCHJ-XLPZGREQSA-N
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