(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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Properties Simple | Detailed

Formula C18H17ClIN5O2
IUPAC Name (1s,2r,3s,4r,5r)-2-[2-chloro-6-[(3-iodophenyl)methylamino]purine-1,3,7-triium-9-yl]bicyclo[3.1.0]hexane-3,4-diol
Molecular Mass 497.717 g·mol−1
Heat of Formation 154.3 ± 16.7 kJ·mol−1
Dipole Moment 3.16 ± 1.08 D
Volume 456.29 Å 3
Surface Area 403.35 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy 2.33 ± eV
Point Group Symmetry C1
InChIKey GSPXPSPDVBRJRV-JHOKLZQASA-N
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