[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl (4-Fluorosulfonylphenyl) Hydrogen Phosphate

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Formula C16H17FN5O9PS
IUPAC Name [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl (4-fluorosulfonylphenyl) hydrogen phosphate
Molecular Mass 505.371 g·mol−1
Heat of Formation -1754.9 ± 16.7 kJ·mol−1
Dipole Moment 8.36 ± 1.08 D
Volume 498.48 Å 3
Surface Area 360.6 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy -1.06 ± eV
Point Group Symmetry C1
InChIKey LRRIKSZLZRJWEV-XNIJJKJLSA-O
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