N-[3-(4-Chlorophenyl)Bicyclo[2.2.2]Oct-2-Yl]Adenosine

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Properties Simple | Detailed

Formula C24H28ClN5O4
IUPAC Name (2r,3r,4s,5r)-2-[6-[[(2r,3s)-2-(4-chlorophenyl)-3-bicyclo[2.2.2]octanyl]amino]purine-1,3,7-triium-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Molecular Mass 485.963 g·mol−1
Heat of Formation -481.0 ± 16.7 kJ·mol−1
Dipole Moment 1.48 ± 1.08 D
Volume 551.44 Å 3
Surface Area 439.9 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy 2.41 ± eV
Point Group Symmetry C1
InChIKey QCIKUTXSFDIBHH-LDUMAMBWSA-N
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Elements H C N O Cl