N-[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl]-2-(2,3-Dihydroxyphenyl)Ethanesulfonamide

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Formula C18H22N6O7S
IUPAC Name n-[[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl]-2-(2,3-dihydroxyphenyl)ethanesulfonamide
Molecular Mass 466.468 g·mol−1
Heat of Formation -895.6 ± 16.7 kJ·mol−1
Dipole Moment 3.69 ± 1.08 D
Volume 498.91 Å 3
Surface Area 435.32 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
InChIKey PARDCTSJVOYJAW-XKLVTHTNSA-O
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