3'-O-{[5-(Dimethylamino)-1-Naphthyl]Sulfonyl}Adenosine

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Formula C22H24N6O6S
IUPAC Name [(2r,3s,4s,5s)-5-(6-aminopurin-9-ium-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] 5-(dimethylamino)naphthalene-1-sulfonate
Molecular Mass 500.528 g·mol−1
Heat of Formation -617.6 ± 16.7 kJ·mol−1
Dipole Moment 6.56 ± 1.08 D
Volume 547.77 Å 3
Surface Area 403.78 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy 1.99 ± eV
Point Group Symmetry C1
InChIKey PFVOMAIBZGSHNC-LRYKZCBQSA-N
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