[(2R,3Ar,4R,6R,6Ar)-2-[3-(6-Aminohexylamino)-3-Oxo-Propyl]-2-Methyl-4-(6-Oxo-3H-Purine-1,7-Diium-4-Id-9-Yl)-3A,4,6,6A-Tetrahydrofuro[3,4-D][1,3]Dioxol-6-Yl]Methyl Dihydrogen Phosphate

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Formula C21H34N6O9P
IUPAC Name [(2r,3ar,4r,6r,6ar)-2-[3-(6-aminohexylamino)-3-oxo-propyl]-2-methyl-4-(6-oxo-3h-purine-1,7-diium-4-id-9-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl dihydrogen phosphate
Molecular Mass 545.503 g·mol−1
Heat of Formation -1732.2 ± 16.7 kJ·mol−1
Dipole Moment 14.29 ± 1.08 D
Volume 634.14 Å 3
Surface Area 483.77 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy -0.28 ± eV
Point Group Symmetry C1
InChIKey IAGGLWXMUYPGLD-GNPZUCITSA-P
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