[(2S,3Ar,4R,6R,6Ar)-4-(2-Amino-6-Oxo-Purine-1,9-Diium-9-Yl)-2-Hydroxy-2-Oxo-3A,4,6,6A-Tetrahydrofuro[3,4-D][1,3,2]Dioxaphosphol-6-Yl]Methyl Dihydrogen Phosphate

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Formula C10H15N5O10P2+
IUPAC Name [(2s,3ar,4r,6r,6ar)-4-(2-amino-6-oxo-purine-1,9-diium-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 427.201 g·mol−1
Heat of Formation -2095.5 ± 16.7 kJ·mol−1
Dipole Moment 6.64 ± 1.08 D
Volume 397.63 Å 3
Surface Area 356.65 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy 2.43 ± eV
Point Group Symmetry C1
InChIKey ZFSSFJIQEODIBJ-UUOKFMHZSA-P
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