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

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Formula C11H18N4O13P3
IUPAC Name [[(2r,3s,4s,5r)-5-(4-aminopyrrolo[2,3-d]pyrimidine-1,3-diium-4a-id-7-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 507.201 g·mol−1
Heat of Formation -3057.7 ± 16.7 kJ·mol−1
Dipole Moment 9.39 ± 1.08 D
Volume 478.07 Å 3
Surface Area 375.87 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy -1.18 ± eV
Point Group Symmetry C1
InChIKey VEGKFAVLAJCBNS-HGIWHZBTSA-O
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