[(2R,3S,5R)-3-Hydroxy-5-[6-Oxo-2-(2-Sulfanylethylamino)-1,8-Dihydropurine-2,3,4,5,7,8-Hexaid-9-Yl]Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate

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Formula C12H24N5O7PS
IUPAC Name [(2r,3s,5r)-3-hydroxy-5-[6-oxo-2-(2-sulfanylethylamino)-1,8-dihydropurine-2,3,4,5,7,8-hexaid-9-yl]tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 413.387 g·mol−1
Heat of Formation -1337.8 ± 16.7 kJ·mol−1
Dipole Moment 8.69 ± 1.08 D
Volume 429.14 Å 3
Surface Area 373.55 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy 2.08 ± eV
Point Group Symmetry C1
InChIKey BYDQPYVCNHFUFE-XLPZGREQSA-N
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