[(2R,5S)-5-(2-Amino-6-Chloro-9H-Purin-9-Yl)-1,3-Oxathiolan-2-Yl]Methanol

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Formula C9H10ClN5O2S
IUPAC Name [(2r,5s)-5-(2-amino-6-chloro-purin-9-ium-9-yl)-1,3-oxathiolan-2-yl]methanol
Molecular Mass 287.726 g·mol−1
Heat of Formation -56.2 ± 16.7 kJ·mol−1
Dipole Moment 5.60 ± 1.08 D
Volume 292.15 Å 3
Surface Area 263.51 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy -1.21 ± eV
Point Group Symmetry C1
Synonyms
  • (-)-(2r,5s)-2-amino-6-chloro-9-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)purine
  • (-)-(2r,5s)-2-amino-6-chloro-9-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]purine
  • 1,3-oxathiolane-2-methanol, 5-(2-amino-6-chloro-9h-purin-9-yl)-, (2r-cis)-
  • [(2r,5s)-5-(2-amino-6-chloro-9-purinyl)-1,3-oxathiolan-2-yl]methanol
  • [(2r,5s)-5-(2-amino-6-chloro-purin-9-yl)-1,3-oxathiolan-2-yl]methanol
CAS Number(s)
  • 145913-81-1
InChIKey ZQYFBYPPSPKXNN-CRCLSJGQSA-N
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