[[(2R,3S,5R)-5-[4-Amino-5-(5-Aminopent-1-Ynyl)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 C16H25N5O12P3
IUPAC Name [[(2r,3s,5r)-5-[4-amino-5-(5-aminopent-1-ynyl)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 572.317 g·mol−1
Heat of Formation -2749.5 ± 16.7 kJ·mol−1
Dipole Moment 5.96 ± 1.08 D
Volume 575.66 Å 3
Surface Area 491.64 Å 2
HOMO Energy -8.47 ± 0.55 eV
LUMO Energy -1.49 ± eV
Point Group Symmetry C1
InChIKey ILSVRJBCLQAKLF-YNEHKIRRSA-O
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