2-{[2-(4-Amino-3-Iodophenyl)Ethyl]Amino}Adenosine

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Formula C18H22IN7O4
IUPAC Name (2r,3r,4s,5r)-2-[6-amino-2-[2-(4-amino-3-iodo-phenyl)ethylamino]purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Molecular Mass 527.316 g·mol−1
Heat of Formation -343.6 ± 16.7 kJ·mol−1
Dipole Moment 4.91 ± 1.08 D
Volume 493.29 Å 3
Surface Area 422.24 Å 2
HOMO Energy -8.56 ± 0.55 eV
LUMO Energy 2.66 ± eV
Point Group Symmetry C1
InChIKey AFFIAFORFZHTLX-SYEQVDHESA-N
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