(2R,3R,4S,5R)-2-[6-[(4-Azido-3-Iodo-Phenyl)Methylamino]Purine-1,3,7-Triium-9-Yl]-5-(Hydroxymethyl)Tetrahydrofuran-3,4-Diol

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Formula C17H19IN8O4
IUPAC Name (2r,3r,4s,5r)-2-[6-[(4-azido-3-iodo-phenyl)methylamino]purine-1,3,7-triium-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Molecular Mass 526.288 g·mol−1
Heat of Formation 35.6 ± 16.7 kJ·mol−1
Dipole Moment 3.35 ± 1.08 D
Volume 478.17 Å 3
Surface Area 416.11 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy 1.83 ± eV
Point Group Symmetry C1
InChIKey SAAVTIPQMKRDNS-LSCFUAHRSA-O
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