5'-Deoxy-5'-[Isopropyl(Trans-3-{2-[5-(2-Methyl-2-Propanyl)-1H-Benzimidazol-2-Yl]Ethyl}Cyclobutyl)Amino]Adenosine

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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 -173.3 ± 16.7 kJ·mol−1
Dipole Moment 4.47 ± 1.08 D
Volume 695.03 Å 3
Surface Area 555.25 Å 2
HOMO Energy -8.41 ± 0.55 eV
LUMO Energy -0.51 ± eV
Point Group Symmetry C1
InChIKey LXFOLMYKSYSZQS-YKPYGOBTSA-N
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