(1R,2R,3S,4R,5S)-4-{2-Chloro-6-[(3-Iodobenzyl)Amino]-9H-Purin-9-Yl}Bicyclo[3.1.0]Hexane-2,3-Diol

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Formula C18H17ClIN5O2
IUPAC Name (1r,2r,3s,4r,5s)-4-[2-chloro-6-[(3-iodophenyl)methylamino]purin-9-yl]bicyclo[3.1.0]hexane-2,3-diol
Molecular Mass 497.717 g·mol−1
Heat of Formation 154.2 ± 16.7 kJ·mol−1
Dipole Moment 2.81 ± 1.08 D
Volume 457.37 Å 3
Surface Area 403.67 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy 2.35 ± eV
Point Group Symmetry C1
InChIKey GSPXPSPDVBRJRV-JHOKLZQASA-N
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