(3S,4R,5S,6R)-3-Acetamido-4,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-Yl [(2R,3S,4R,5R)-5-(2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methyl Dihydrogen Diphosphate

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Formula C17H27N3O17P2++
IUPAC Name [(2s,3r,4r,5r,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] [[(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] phosphate
Molecular Mass 607.354 g·mol−1
Heat of Formation -3427.0 ± 16.7 kJ·mol−1
Dipole Moment 3.36 ± 1.08 D
Volume 603.36 Å 3
Surface Area 413.97 Å 2
HOMO Energy -9.61 ± 0.55 eV
LUMO Energy -1.42 ± eV
Point Group Symmetry C1
InChIKey LFTYTUAZOPRMMI-FZRPSTAJSA-P
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