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

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Formula C15H24N2O17P2
IUPAC Name [[(2s,3r,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] hydrogen phosphate
Molecular Mass 566.302 g·mol−1
Heat of Formation -3684.4 ± 16.7 kJ·mol−1
Dipole Moment 5.13 ± 1.08 D
Volume 554.38 Å 3
Surface Area 394.59 Å 2
HOMO Energy -9.86 ± 0.55 eV
LUMO Energy -1.39 ± eV
Point Group Symmetry C1
InChIKey HSCJRCZFDFQWRP-LJMZODOWSA-N
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