2,8-Diamino-9-[(2R,3R,4R,5S)-3,4-Dihydroxy-5-[(R)-Hydroxy(Iodo)Methyl]Tetrahydrofuran-2-Yl]-3H-Purine-1,7-Diium-4-Id-6-One

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Properties Simple | Detailed

Formula C10H14IN6O5
IUPAC Name 2,8-diamino-9-[(2r,3r,4r,5s)-3,4-dihydroxy-5-[(r)-hydroxy(iodo)methyl]tetrahydrofuran-2-yl]-3h-purine-1,7-diium-4-id-6-one
Molecular Mass 425.160 g·mol−1
Heat of Formation -508.4 ± 16.7 kJ·mol−1
Dipole Moment 8.57 ± 1.08 D
Volume 353.34 Å 3
Surface Area 300.06 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy 2.68 ± eV
Point Group Symmetry C1
InChIKey NYQMUQZPADUOKQ-WGRAPJIFSA-P
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