[(2R,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 [(2r,4r)-4-(2-amino-6-chloro-purin-9-ium-9-yl)-1,3-dioxolan-2-yl]methanol
Molecular Mass 271.660 g·mol−1
Heat of Formation -246.6 ± 16.7 kJ·mol−1
Dipole Moment 5.27 ± 1.08 D
Volume 278.31 Å 3
Surface Area 259.14 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy -1.23 ± eV
Point Group Symmetry C1
Synonyms
  • (+)-(2r,4s)-2-amino-6-chloro-9-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]purine
  • (+).a.dioxol-2nh26clpur
  • (-)-(2r,4r)-2-amino-6-chloro-9-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]purine
  • (-).beta.-dioxol-2nh26clpur
  • [(2r,4r)-4-(2-amino-6-chloro-9-purinyl)-1,3-dioxolan-2-yl]methanol
  • [(2r,4r)-4-(2-amino-6-chloro-purin-9-yl)-1,3-dioxolan-2-yl]methanol
  • [(2r,4r)-4-(2-amino-6-chloropurin-9-yl)-1,3-dioxolan-2-yl]methanol
  • d-acpd
InChIKey AHZYYPABMTXZCC-RFZPGFLSSA-N
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Elements H C N O Cl