[[(2R,3S,5R)-5-[2-Amino-5-(5-Aminopent-1-Ynyl)-4-Oxo-3H-Pyrrolo[2,3-D]Pyrimidin-1-Ium-4A-Id-7-Yl]-3-Hydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] Phosphono Hydrogen Phosphate

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Properties Simple | Detailed

Formula C16H25N5O13P3
IUPAC Name [[(2r,3s,5r)-5-[2-amino-5-(5-aminopent-1-ynyl)-4-oxo-3h-pyrrolo[2,3-d]pyrimidin-1-ium-4a-id-7-yl]-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 588.317 g·mol−1
Heat of Formation -2965.6 ± 16.7 kJ·mol−1
Dipole Moment 3.94 ± 1.08 D
Volume 586.41 Å 3
Surface Area 500.59 Å 2
HOMO Energy -8.39 ± 0.55 eV
LUMO Energy -1.44 ± eV
Point Group Symmetry C1
InChIKey ILUBNIIJWLFGTP-GFHFYFMTSA-P
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