[(2R,3S,4R,5R)-5-(5-Azido-2,4-Dioxo-Pyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Phosphono [(1R,2S,3S,4R)-2,3,4-Trihydroxy-1-(Hydroxymethyl)-5-Oxo-Pentyl] Phosphate

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Formula C15H24N5O17P2
IUPAC Name [(2r,3s,4r,5r)-5-(5-azido-2,4-dioxo-pyrimidin-1-ium-5-ylium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphono [(1r,2s,3s,4r)-2,3,4-trihydroxy-1-(hydroxymethyl)-5-oxo-pentyl] phosphate
Molecular Mass 608.322 g·mol−1
Heat of Formation -3283.3 ± 16.7 kJ·mol−1
Dipole Moment 5.26 ± 1.08 D
Volume 605.96 Å 3
Surface Area 459.61 Å 2
HOMO Energy -9.50 ± 0.55 eV
LUMO Energy -1.95 ± eV
Point Group Symmetry C1
InChIKey CXOVTVMNYVDWPK-XWIAFJDLSA-P
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