(2S,3S,4R,5R)-5-(6-Aminopurin-9-Ium-5-Ylium-9-Yl)-N-[[(2S,3S,4R,5R)-5-(2,4-Dioxopyrimidin-1-Yl)-4-Hydroxy-2-(Hydroxymethyl)Tetrahydrofuran-3-Yl]Methylsulfonyl]-3,4-Dihydroxy-Tetrahydrofuran-2-Carboxamide

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Formula C20H24N8O11S++
IUPAC Name (2s,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-n-[[(2s,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]methylsulfonyl]-3,4-dihydroxy-tetrahydrofuran-2-carboxamide
Molecular Mass 584.517 g·mol−1
Heat of Formation -1650.9 ± 16.7 kJ·mol−1
Dipole Moment 5.72 ± 1.08 D
Volume 599.08 Å 3
Surface Area 490.1 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy 2.25 ± eV
Point Group Symmetry C1
InChIKey KEQMCGJHYDWPEW-ZSIUBJGCSA-N
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