[(2S,5R)-5-(6-Amino-2-Chloro-9H-Purin-9-Yl)-2,5-Dihydro-2-Furanyl]Methanol

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Properties Simple | Detailed

Formula C10H10ClN5O2
IUPAC Name [(2s,5r)-5-(6-amino-2-chloro-purin-9-ium-9-yl)-2,5-dihydrofuran-2-yl]methanol
Molecular Mass 267.672 g·mol−1
Heat of Formation -7.1 ± 16.7 kJ·mol−1
Dipole Moment 3.35 ± 1.08 D
Volume 281.41 Å 3
Surface Area 261.77 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy 2.26 ± eV
Point Group Symmetry C1
Synonyms
  • 2-cdhda
  • 2-chloro-2',3'-didehydro-2',3'-dideoxyadenosine
  • 2-chloro-2',3'-dideoxydidehydroadenosine
  • 2-cl-d4a
  • 2-clddeado
  • 2-furanmethanol, 5-(6-amino-2-chloro-9h-purin-9-yl)-2,5-dihydro-, (2s-cis)-
  • [(2s,5r)-5-(6-amino-2-chloro-9-purinyl)-2,5-dihydrofuran-2-yl]methanol
  • [(2s,5r)-5-(6-amino-2-chloro-purin-9-yl)-2,5-dihydrofuran-2-yl]methanol
CAS Number(s)
  • 119530-56-2
InChIKey UFRFRMRLLYZQSD-NTSWFWBYSA-N
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Elements H C N O Cl