(1R)-1-(7-Amino-5-Chloro-2H-Pyrazolo[4,3-D]Pyrimidin-3-Yl)-1,4-Anhydro-2-Deoxy-D-Erythro-Pentitol

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Properties Simple | Detailed

Formula C10H12ClN5O3
IUPAC Name (2r,3s,5r)-5-(7-amino-5-chloro-pyrazolo[4,3-d]pyrimidin-2-ium-3-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol
Molecular Mass 285.687 g·mol−1
Heat of Formation -246.3 ± 16.7 kJ·mol−1
Dipole Moment 6.18 ± 1.08 D
Volume 298.4 Å 3
Surface Area 263.85 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy 1.90 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,5r)-5-(7-amino-5-chloro-2h-pyrazolo[5,4-e]pyrimidin-3-yl)-2-(hydroxymethyl)-3-tetrahydrofuranol
  • (2r,3s,5r)-5-(7-amino-5-chloro-2h-pyrazolo[5,4-e]pyrimidin-3-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol
  • (2r,3s,5r)-5-(7-amino-5-chloro-2h-pyrazolo[5,4-e]pyrimidin-3-yl)-2-methylol-tetrahydrofuran-3-ol
  • (r)-1-c-(7-amino-5-chloro-1h-pyrazolo(4,3-d)pyridmidin-3-yl)-1,4-anhydro-2-deoxy-d-erythro-pentitol
  • 2'-deoxy-5'-chloroformycin
  • 5'-chloro-2'-deoxyformycin a
  • d-erythro-pentitol, 1-c-(7-amino-5-chloro-1h-pyrazolo(4,3-d)pyridmidin-3-yl)-1,4-anhydro-2-deoxy-, (r)-
CAS Number(s)
  • 103090-53-5
InChIKey OUIKNXADYLNPTR-VPENINKCSA-N
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Elements H C N O Cl