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]-3H-Purine-1,7-Diium-4-Id-6-One

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Formula C10H13N4O7P+
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]-3h-purine-1,7-diium-4-id-6-one
Molecular Mass 332.207 g·mol−1
Heat of Formation -1202.6 ± 16.7 kJ·mol−1
Dipole Moment 11.22 ± 1.08 D
Volume 322.39 Å 3
Surface Area 285.28 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy -1.12 ± eV
Point Group Symmetry C1
InChIKey PXTXYZLHODVKOA-KQYNXXCUSA-P
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