[[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxy-Dihydroxy-Sulfido-Phosphonium

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Formula C10H17N5O12P3S
IUPAC Name [[[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-dihydroxy-sulfido-phosphonium
Molecular Mass 524.255 g·mol−1
Heat of Formation -2823.6 ± 16.7 kJ·mol−1
Dipole Moment 2.72 ± 1.08 D
Volume 498.7 Å 3
Surface Area 411.91 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy -1.58 ± eV
Point Group Symmetry C1
InChIKey CRVJTIORXPLRDB-KQYNXXCUSA-O
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