(2R,3S,4S,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-2-(Hydroxymethyl)-4-(4-Nitrophenyl)Tetrahydrofuran-3-Ol

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Formula C16H16N6O5
IUPAC Name (2r,3s,4s,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-2-(hydroxymethyl)-4-(4-nitrophenyl)tetrahydrofuran-3-ol
Molecular Mass 372.335 g·mol−1
Heat of Formation -204.1 ± 16.7 kJ·mol−1
Dipole Moment 2.92 ± 1.08 D
Volume 405.05 Å 3
Surface Area 319.68 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy 1.56 ± eV
Point Group Symmetry C1
InChIKey DPHAGCRDWKTGDW-DDFXLWFNSA-O
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