[(3Ar,4R,6R,6Ar)-6-(2-Amino-6-Oxo-1,6-Dihydro-9H-Purin-9-Yl)-2-Hydroxy-2-Oxidotetrahydrofuro[3,4-D][1,3,2]Dioxaphosphol-4-Yl]Methyl Dihydrogen Phosphate

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Formula C10H14N5O10P2
IUPAC Name [(2s,3ar,4r,6r,6ar)-4-(2-amino-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 dihydrogen phosphate
Molecular Mass 426.193 g·mol−1
Heat of Formation -2049.5 ± 16.7 kJ·mol−1
Dipole Moment 10.58 ± 1.08 D
Volume 401.21 Å 3
Surface Area 353.61 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy -1.05 ± eV
Point Group Symmetry C1
InChIKey ZBMMALUAVDLKSL-UUOKFMHZSA-N
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