[(2R,3S,4R,5R)-5-(6-Amino-9H-Purin-9-Yl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methyl (2R,3S,4S)-5-[(1R,3R,3As)-3-[2-(Benzyloxy)-3-Fluorophenyl]-1-Hydroxy-10,11-Dimethyl-4,6-Dioxo-2,3,5,6-Tetrahydro-1H-Benzo[G]Pyrrolo[2,1-E]Pteridin-8(4H)-Yl]-2,3,4-Trihydroxypentyl Dihydrogen Diphosphate

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Formula C43H119FN9O17P2+
IUPAC Name [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl (2r,3s,4s)-5-[(1r,3r,3as)-3-[2-(benzyloxy)-3-fluorophenyl]-1-hydroxy-10,11-dimethyl-4,6-dioxo-2,3,5,6-tetrahydro-1h-benzo[g]pyrrolo[2,1-e]pteridin-8(4h)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate
Molecular Mass 1116.409 g·mol−1
Heat of Formation -3222.3 ± 16.7 kJ·mol−1
Dipole Moment 8.13 ± 1.08 D
Volume 1116.9 Å 3
Surface Area 856.15 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy -1.43 ± eV
Point Group Symmetry C1
InChIKey MHNGLOZRWDKFEV-BJXRDEIQSA-N
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