(2R,3R,4S,5R)-2-[2-Amino-6-[(2-Hydroxy-5-Nitro-Phenyl)Methylsulfanyl]Purine-1,3,7-Triium-9-Yl]-5-(Hydroxymethyl)Tetrahydrofuran-3,4-Diol

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Formula C17H18N6O7S
IUPAC Name (2r,3r,4s,5r)-2-[2-amino-6-[(2-hydroxy-5-nitro-phenyl)methylsulfanyl]purine-1,3,7-triium-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Molecular Mass 450.426 g·mol−1
Heat of Formation -547.0 ± 16.7 kJ·mol−1
Dipole Moment 9.01 ± 1.08 D
Volume 474.8 Å 3
Surface Area 418.15 Å 2
HOMO Energy -8.57 ± 0.55 eV
LUMO Energy -1.19 ± eV
Point Group Symmetry C1
InChIKey VPUVVPQUAGPPFY-XNIJJKJLSA-O
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