[(2R,3S,5R)-3-Hydroxy-5-[6-Oxo-2-(3-Sulfanylpropylamino)-1H-Purine-3,7-Diium-9-Yl]Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate

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Formula C13H20N5O7PS
IUPAC Name [(2r,3s,5r)-3-hydroxy-5-[6-oxo-2-(3-sulfanylpropylamino)-1h-purine-3,7-diium-9-yl]tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 421.366 g·mol−1
Heat of Formation -1359.6 ± 16.7 kJ·mol−1
Dipole Moment 8.54 ± 1.08 D
Volume 450.17 Å 3
Surface Area 393.19 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -0.85 ± eV
Point Group Symmetry C1
InChIKey KUYKNBHCOCLVNF-DJLDLDEBSA-P
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