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]-3H-Pteridine-1,5,8-Triium-4-One

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Formula C24H36N12O4S
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]-3h-pteridine-1,5,8-triium-4-one
Molecular Mass 588.686 g·mol−1
Heat of Formation -152.9 ± 16.7 kJ·mol−1
Dipole Moment 4.08 ± 1.08 D
Volume 655.65 Å 3
Surface Area 557.95 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy 1.90 ± eV
Point Group Symmetry C1
InChIKey YREHQKZYBKADBI-YMYXXHFHSA-P
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