(3R)-N-[3-[[(2S,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methylsulfanyl]Propyl]-1,2,3,4-Tetrahydroisoquinoline-3-Carboxamide

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Formula C23H31N7O4S
IUPAC Name (3r)-n-[3-[[(2s,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methylsulfanyl]propyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Molecular Mass 501.602 g·mol−1
Heat of Formation -385.8 ± 16.7 kJ·mol−1
Dipole Moment 4.10 ± 1.08 D
Volume 572.97 Å 3
Surface Area 495.98 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy 2.42 ± eV
Point Group Symmetry C1
InChIKey VOLKTRKHDRUYIS-AXKRAVOISA-O
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