[(2R,3S,4R,5R)-5-(4-Aminopyrrolo[2,3-D]Pyrimidine-1,3-Diium-4A-Id-7-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Phosphono Hydrogen Phosphate

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Formula C11H17N4O10P2
IUPAC Name [(2r,3s,4r,5r)-5-(4-aminopyrrolo[2,3-d]pyrimidine-1,3-diium-4a-id-7-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
Molecular Mass 427.221 g·mol−1
Heat of Formation -2213.8 ± 16.7 kJ·mol−1
Dipole Moment 3.87 ± 1.08 D
Volume 420.88 Å 3
Surface Area 360.47 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy -1.44 ± eV
Point Group Symmetry C1
InChIKey OWBVGLGHBDCIQJ-KCGFPETGSA-O
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