[[(2R,3S,5R)-5-(4-Amino-5-Cyano-Pyrrolo[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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Formula C12H17N5O12P3
IUPAC Name [[(2r,3s,5r)-5-(4-amino-5-cyano-pyrrolo[2,3-d]pyrimidine-1,3-diium-4a-id-7-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 516.211 g·mol−1
Heat of Formation -2794.6 ± 16.7 kJ·mol−1
Dipole Moment 3.99 ± 1.08 D
Volume 495.87 Å 3
Surface Area 394.7 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy -1.57 ± eV
Point Group Symmetry C1
InChIKey CHUQLGCAILHCOQ-DJLDLDEBSA-O
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