N-[(2R)-1-(4-Hydroxy-3-Iodophenyl)-2-Propanyl]Adenosine

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Formula C19H22IN5O5
IUPAC Name (2r,3r,4s,5r)-2-[6-[[(1r)-2-(4-hydroxy-3-iodo-phenyl)-1-methyl-ethyl]amino]purine-1,3,7-triium-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Molecular Mass 527.313 g·mol−1
Heat of Formation -536.8 ± 16.7 kJ·mol−1
Dipole Moment 1.29 ± 1.08 D
Volume 502.83 Å 3
Surface Area 369.42 Å 2
HOMO Energy -8.44 ± 0.55 eV
LUMO Energy -0.40 ± eV
Point Group Symmetry C1
InChIKey UYWJRWJYHIMDES-DQXDPGMCSA-N
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