9-[(2S,3Ar,4R,6R,6Ar)-2-Hydroxy-6-(Hydroxymethyl)-2-Oxo-3A,4,6,6A-Tetrahydrofuro[3,4-D][1,3,2]Dioxaphosphol-4-Yl]-2-Amino-3H-Purine-1,7-Diium-4-Id-6-One

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Formula C10H13N5O7P
IUPAC Name 9-[(2s,3ar,4r,6r,6ar)-2-hydroxy-6-(hydroxymethyl)-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]-2-amino-3h-purine-1,7-diium-4-id-6-one
Molecular Mass 346.213 g·mol−1
Heat of Formation -1208.9 ± 16.7 kJ·mol−1
Dipole Moment 11.83 ± 1.08 D
Volume 337.98 Å 3
Surface Area 301.15 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy -0.76 ± eV
Point Group Symmetry C1
InChIKey LFLTWVYBZLGRFN-UUOKFMHZSA-P
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