(2R,3R,4S,5R)-2-(6-Aminopurine-1,3,7-Triium-9-Yl)-5-[Bis(Sulfanyl)Phosphoryloxymethyl]Tetrahydrofuran-3,4-Diol

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Formula C10H14N5O5PS2
IUPAC Name (2r,3r,4s,5r)-2-(6-aminopurine-1,3,7-triium-9-yl)-5-[bis(sulfanyl)phosphoryloxymethyl]tetrahydrofuran-3,4-diol
Molecular Mass 379.352 g·mol−1
Heat of Formation -789.7 ± 16.7 kJ·mol−1
Dipole Moment 1.72 ± 1.08 D
Volume 391.72 Å 3
Surface Area 330.25 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy -0.90 ± eV
Point Group Symmetry C1
InChIKey KITJASFGADURST-KQYNXXCUSA-O
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