10-[(2S,3S,4R)-5-{[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(6-Amino-9H-Purin-9-Yl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methoxy}(Hydroxy)Phosphoryl]Oxy}(Hydroxy)Phosphoryl]Oxy}-2,3,4-Trihydroxypentyl]-8-(Dimethylami No)-7-Methyl-2,4-Dioxo-1,2,3,4-Tetrahydrobenzo[G]Pteridin-10-Ium

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Formula C28H37N10O15P2
IUPAC Name [[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3s,4s)-5-[8-(dimethylamino)-7-methyl-2,4-dioxo-benzo[g]pteridine-1,5-diium-8-id-10-yl]-2,3,4-trihydroxy-pentyl] hydrogen phosphate
Molecular Mass 815.599 g·mol−1
Heat of Formation -2804.1 ± 16.7 kJ·mol−1
Dipole Moment 6.97 ± 1.08 D
Volume 846.46 Å 3
Surface Area 680.71 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -1.77 ± eV
Point Group Symmetry C1
InChIKey MHLHGXADKUHZGN-MZWSMYJRSA-Q
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