[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] [(2S,3R,4S,5S,6R)-6-[(1S)-1,2-Dihydroxyethyl]-3-Fluoro-4,5-Dihydroxy-Tetrahydropyran-2-Yl] Hydrogen Phosphate

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Formula C17H26FN5O15P2
IUPAC Name [[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2s,3r,4s,5s,6r)-6-[(1s)-1,2-dihydroxyethyl]-3-fluoro-4,5-dihydroxy-tetrahydropyran-2-yl] hydrogen phosphate
Molecular Mass 621.359 g·mol−1
Heat of Formation -3317.9 ± 16.7 kJ·mol−1
Dipole Moment 6.89 ± 1.08 D
Volume 616.65 Å 3
Surface Area 496.14 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy 1.54 ± eV
Point Group Symmetry C1
InChIKey RAWJOCPNNFACFA-FJBXLJLUSA-O
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