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

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Properties Simple | Detailed

Formula C11H18N4O12P3
IUPAC Name [[(2r,3s,5r)-5-(4-aminopyrrolo[2,3-d]pyrimidine-1,3-diium-4a-id-7-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 491.202 g·mol−1
Heat of Formation -2922.4 ± 16.7 kJ·mol−1
Dipole Moment 2.29 ± 1.08 D
Volume 472.02 Å 3
Surface Area 388.2 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy -1.58 ± eV
Point Group Symmetry C1
InChIKey UEUCIRQQKSQAEV-DJLDLDEBSA-O
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