(2R)-2-Amino-N-[[(2R,3R,4S,5S)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methylsulfamoyl]-4-Methylsulfanyl-Butanamide

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Formula C15H24N8O6S2
IUPAC Name (2r)-2-amino-n-[[(2r,3r,4s,5s)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methylsulfamoyl]-4-methylsulfanyl-butanamide
Molecular Mass 476.531 g·mol−1
Heat of Formation -817.4 ± 16.7 kJ·mol−1
Dipole Moment 3.83 ± 1.08 D
Volume 518.95 Å 3
Surface Area 439.67 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy -0.68 ± eV
Point Group Symmetry C1
InChIKey URZHNWOZJZDAPX-MLTWFIIGSA-O
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