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

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Formula C18H26N5O9P+
IUPAC Name [(2s,3ar,4r,6r,6ar)-4-[2-(butanoylamino)-6-oxo-3h-purine-1,7-diium-4-id-9-yl]-2-hydroxy-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-6-yl]methyl butanoate
Molecular Mass 487.401 g·mol−1
Heat of Formation -1672.4 ± 16.7 kJ·mol−1
Dipole Moment 10.13 ± 1.08 D
Volume 523.96 Å 3
Surface Area 455.59 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy -0.50 ± eV
Point Group Symmetry C1
InChIKey USBJXPDJJMWOIQ-KRQFVHPKSA-P
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