2-Amino-6-[[2-[4-[[(2S,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methylsulfanyl]-1-Piperidyl]Ethylamino]Methyl]-7,7-Dimethyl-3,8-Dihydropteridine-1,5-Diium-4-One

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Formula C26H38N12O4S
IUPAC Name 2-amino-6-[[2-[4-[[(2s,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methylsulfanyl]-1-piperidyl]ethylamino]methyl]-7,7-dimethyl-3,8-dihydropteridine-1,5-diium-4-one
Molecular Mass 614.723 g·mol−1
Heat of Formation -335.7 ± 16.7 kJ·mol−1
Dipole Moment 5.72 ± 1.08 D
Volume 707.46 Å 3
Surface Area 557.89 Å 2
HOMO Energy -8.41 ± 0.55 eV
LUMO Energy 2.48 ± eV
Point Group Symmetry C1
InChIKey XGQBTDNFALSCHJ-KYKAGHOCSA-P
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