2-[4-[(2S,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Carbonyl]Piperazin-1-Yl]-N-(1-Oxoisoindolin-4-Yl)Acetamide

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Formula C24H27N9O6
IUPAC Name 2-[4-[(2s,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-carbonyl]piperazin-1-yl]-n-(1-oxoisoindolin-4-yl)acetamide
Molecular Mass 537.528 g·mol−1
Heat of Formation -609.7 ± 16.7 kJ·mol−1
Dipole Moment 5.26 ± 1.08 D
Volume 592.9 Å 3
Surface Area 491.14 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy 2.42 ± eV
Point Group Symmetry C1
InChIKey XIJLRJYURLKKPZ-UAKAABGRSA-O
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