[(2S,4R)-4-(2-Amino-6-Chloro-9H-Purin-9-Yl)-1,3-Dioxolan-2-Yl]Methanol

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Properties Simple | Detailed

Formula C9H10ClN5O3
IUPAC Name [(2s,4r)-4-(2-amino-6-chloro-purin-9-yl)-1,3-dioxolan-2-yl]methanol
Molecular Mass 271.660 g·mol−1
Heat of Formation -247.0 ± 16.7 kJ·mol−1
Dipole Moment 5.79 ± 1.08 D
Volume 279.63 Å 3
Surface Area 262.59 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy 2.10 ± eV
Point Group Symmetry C1
Synonyms
  • (-)-(2s,4r)-2-amino-6-chloro-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]purine
  • (-).a.-dioxolan-2nh6cl-p
  • [(2s,4r)-4-(2-amino-6-chloro-9-purinyl)-1,3-dioxolan-2-yl]methanol
  • [(2s,4r)-4-(2-amino-6-chloro-purin-9-yl)-1,3-dioxolan-2-yl]methanol
InChIKey AHZYYPABMTXZCC-UHNVWZDZSA-N
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Elements H C N O Cl