5'-Deoxy-5'-({[2-(2,3-Dihydroxyphenyl)Ethyl]Sulfonyl}Amino)Adenosine

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Formula C18H22N6O7S
IUPAC Name n-[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl]-2-(2,3-dihydroxyphenyl)ethanesulfonamide
Molecular Mass 466.468 g·mol−1
Heat of Formation -993.5 ± 16.7 kJ·mol−1
Dipole Moment 4.00 ± 1.08 D
Volume 487.32 Å 3
Surface Area 380.99 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy -0.65 ± eV
Point Group Symmetry C1
InChIKey JESVQFVPCGDKBX-XKLVTHTNSA-N
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