(2R,3R,4R,5S)-5-[(1S)-1,2-Dihydroxyethyl]-3,4-Dihydroxytetrahydro-2-Furanyl [(2R,3S,4R,5R)-5-(2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methyl Dihydrogen Diphosphate (Non-Preferred Name)

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Formula C15H24N2O17P2
IUPAC Name [(2r,3r,4r,5s)-5-[(1s)-1,2-dioxidoethyl]-3,4-dioxido-tetrahydrofuran-2-yl] [[(2r,3s,4r,5r)-5-(2,6-dioxo-4,5-dihydropyrimidin-1-ium-4-ylium-5-id-3-yl)-3,4-dioxido-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] phosphate
Molecular Mass 566.302 g·mol−1
Heat of Formation -3708.4 ± 16.7 kJ·mol−1
Dipole Moment 4.25 ± 1.08 D
Volume 548.34 Å 3
Surface Area 421.52 Å 2
HOMO Energy -9.97 ± 0.55 eV
LUMO Energy -1.36 ± eV
Point Group Symmetry C1
InChIKey ZQLQOXLUCGXKHS-WPNYMCDGSA-N
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