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

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Properties Simple | Detailed

Formula C9H10ClN5O2S
IUPAC Name [(2s,5r)-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 -74.3 ± 16.7 kJ·mol−1
Dipole Moment 3.11 ± 1.08 D
Volume 294.92 Å 3
Surface Area 257.23 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy -1.31 ± eV
Point Group Symmetry C1
Synonyms
  • (+)-(2s,5s)-2-amino-6-chloro-9-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)purine
  • (+)-(2s,5s)-2-amino-6-chloro-9-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]purine
  • (-)-(2s,5r)-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)-, (2s-cis)-
  • 1,3-oxathiolane-2-methanol, 5-(2-amino-6-chloro-9h-purin-9-yl)-, (2s-trans)-
  • 2-achmo-purine
  • 2-amino-6-chloro-9-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)purine
  • 5-(2-amino-6-chloro-9h-purin-9-yl)-1,3-oxathiolane-2-methanol (2s-cis)-
  • [(2s,5r)-5-(2-amino-6-chloro-9-purinyl)-1,3-oxathiolan-2-yl]methanol
  • [(2s,5r)-5-(2-amino-6-chloro-purin-9-yl)-1,3-oxathiolan-2-yl]methanol
  • oxathiolan, 2nh6clpur(+).alpha.
  • oxathiolan, 2nh6clpur(+)alpha
  • oxathiolan, 2nh6clpur-(-).b.
CAS Number(s)
  • 149819-73-8
  • 149819-74-9
InChIKey ZQYFBYPPSPKXNN-UHNVWZDZSA-N
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