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

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Formula C11H16N4O6P
IUPAC Name [(2r,3s,5r)-5-(4-aminopyrrolo[2,3-d]pyrimidine-1,3-diium-4a-id-7-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 331.242 g·mol−1
Heat of Formation -1182.5 ± 16.7 kJ·mol−1
Dipole Moment 2.41 ± 1.08 D
Volume 345.77 Å 3
Surface Area 306.63 Å 2
HOMO Energy -8.57 ± 0.55 eV
LUMO Energy 2.84 ± eV
Point Group Symmetry C1
InChIKey TXVQCIWFAOHGRK-DJLDLDEBSA-O
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