9-{5-Deoxy-5-[Isopropyl(Cis-3-{2-[5-(2-Methyl-2-Propanyl)-1H-Benzimidazol-2-Yl]Ethyl}Cyclobutyl)Amino]-D-Glycero-Pentofuranosyl}-9H-Purin-6-Amine

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Properties Simple | Detailed

Formula C30H42N8O3
IUPAC Name 2-(6-aminopurin-9-yl)-5-[[[3-[2-(5-tert-butyl-1h-benzimidazol-2-yl)ethyl]cyclobutyl]-isopropyl-amino]methyl]tetrahydrofuran-3,4-diol
Molecular Mass 562.706 g·mol−1
Heat of Formation 4288.5 ± 16.7 kJ·mol−1
Dipole Moment 21.15 ± 1.08 D
Volume 600.73 Å 3
Surface Area 533.74 Å 2
HOMO Energy -8.24 ± 0.55 eV
LUMO Energy -3.14 ± eV
Point Group Symmetry C1
InChIKey LXFOLMYKSYSZQS-LXSMCKKHSA-N
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