2'-Deoxy-5-[(1-Hydroxy-2,2,5,5-Tetramethyl-2,5-Dihydro-1H-Pyrrol-3-Yl)Ethynyl]Uridine 5'-(Tetrahydrogen Triphosphate)

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Formula C19H31N3O15P3+++
IUPAC Name [hydroxy-[[(2r,3s,5r)-3-hydroxy-5-[5-[2-[(1s)-1-hydroxy-2,2,5,5-tetramethyl-1h-pyrrol-1-ium-3-yl]ethynyl]-2,4-dioxo-1h-pyrimidine-1,3-diium-1-yl]tetrahydrofuran-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate
Molecular Mass 634.382 g·mol−1
Heat of Formation -3320.3 ± 16.7 kJ·mol−1
Dipole Moment 6.14 ± 1.08 D
Volume 650.29 Å 3
Surface Area 539.05 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy -1.42 ± eV
Point Group Symmetry C1
InChIKey GHJOELBEPYPBAG-RRFJBIMHSA-N
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