[[(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-Formyl-7-Methyl-2,4-Dioxo-Benzo[G]Pteridine-1,5-Diium-9A-Id-10-Yl)-2,3,4-Trihydroxy-Pentyl] Hydrogen Phosphate

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Formula C27H32N9O16P2
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-formyl-7-methyl-2,4-dioxo-benzo[g]pteridine-1,5-diium-9a-id-10-yl)-2,3,4-trihydroxy-pentyl] hydrogen phosphate
Molecular Mass 800.541 g·mol−1
Heat of Formation -2892.0 ± 16.7 kJ·mol−1
Dipole Moment 8.96 ± 1.08 D
Volume 823.1 Å 3
Surface Area 673.97 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy -2.49 ± eV
Point Group Symmetry C1
InChIKey GZWBDRJUAMAALF-UYBVJOGSSA-Q
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