[(2R,3S,5R)-3-Hydroxy-5-[6-[3-(Propyldisulfanyl)Propylamino]Purine-1,3,7-Triium-9-Yl]Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate

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Formula C16H26N5O6PS2
IUPAC Name [(2r,3s,5r)-3-hydroxy-5-[6-[3-(propyldisulfanyl)propylamino]purine-1,3,7-triium-9-yl]tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 479.511 g·mol−1
Heat of Formation -1215.1 ± 16.7 kJ·mol−1
Dipole Moment 6.35 ± 1.08 D
Volume 524.99 Å 3
Surface Area 464.31 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy -0.98 ± eV
Point Group Symmetry C1
InChIKey WNULNHOFBSEGFC-YNEHKIRRSA-O
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