6-[(4-Nitrobenzyl)Sulfanyl]-9-(β-D-Xylofuranosyl)-9H-Purin-2-Amine

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Formula C17H18N6O6S
IUPAC Name (2r,3r,4r,5r)-2-[2-amino-6-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Molecular Mass 434.426 g·mol−1
Heat of Formation -393.4 ± 16.7 kJ·mol−1
Dipole Moment 6.40 ± 1.08 D
Volume 466.62 Å 3
Surface Area 355.18 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy -1.39 ± eV
Point Group Symmetry C1
InChIKey BRSNNJIJEZWSBU-QZDOHJIMSA-N
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