[(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 C9H6ClN5O3
IUPAC Name (1e)-n,2-dicyano-2-[[(z)-[2-(oxomethylene)-1,3-dioxolan-4-ylidene]amino]methylamino]acetimidoyl chloride
Molecular Mass 267.629 g·mol−1
Heat of Formation 624.5 ± 16.7 kJ·mol−1
Dipole Moment 11.99 ± 1.08 D
Volume 268.38 Å 3
Surface Area 269.78 Å 2
HOMO Energy -9.46 ± 0.55 eV
LUMO Energy -0.54 ± 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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