(2R,3R,4S,5R)-2-[2-Azido-6-[[(1R)-2-(4-Hydroxyphenyl)-1-Methyl-Ethyl]Amino]Purine-1,3,7-Triium-9-Yl]-5-(Hydroxymethyl)Tetrahydrofuran-3,4-Diol

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Formula C19H23N8O5
IUPAC Name (2r,3r,4s,5r)-2-[2-azido-6-[[(1r)-2-(4-hydroxyphenyl)-1-methyl-ethyl]amino]purine-1,3,7-triium-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Molecular Mass 443.437 g·mol−1
Heat of Formation -273.3 ± 16.7 kJ·mol−1
Dipole Moment 3.49 ± 1.08 D
Volume 501.13 Å 3
Surface Area 425.4 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy -0.96 ± eV
Point Group Symmetry C1
InChIKey DGGIJUWBYXIGNK-IUAXGMLLSA-O
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