(2R,3R,4S,5R)-2-[6-(4-Hydroxyanilino)-2-Isopropyl-Purine-1,3,7-Triium-9-Yl]-5-(Hydroxymethyl)Tetrahydrofuran-3,4-Diol

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Formula C19H23N5O5
IUPAC Name (2r,3r,4s,5r)-2-[6-(4-hydroxyanilino)-2-isopropyl-purine-1,3,7-triium-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Molecular Mass 401.416 g·mol−1
Heat of Formation -612.4 ± 16.7 kJ·mol−1
Dipole Moment 3.73 ± 1.08 D
Volume 458.97 Å 3
Surface Area 393.92 Å 2
HOMO Energy -8.54 ± 0.55 eV
LUMO Energy 2.23 ± eV
Point Group Symmetry C1
InChIKey UBJAFYHBLHCCRR-QEPJRFBGSA-O
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