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

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Properties Simple | Detailed

Formula C14H24N2O16P2++
IUPAC Name [[(2r,3s,4r,5r)-5-(2,4-dioxo-1h-pyrimidine-1,3-diium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2s,3r,4s,5s)-3,4,5-trihydroxytetrahydropyran-2-yl] hydrogen phosphate
Molecular Mass 538.292 g·mol−1
Heat of Formation -3464.3 ± 16.7 kJ·mol−1
Dipole Moment 4.82 ± 1.08 D
Volume 532.17 Å 3
Surface Area 419.73 Å 2
HOMO Energy -10.03 ± 0.55 eV
LUMO Energy -1.53 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,4r,5r)-5-(2,4-diketopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [hydroxy-[(2s,3r,4s,5s)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-phosphoryl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl [hydroxy-[[(2s,3r,4s,5s)-3,4,5-trihydroxy-2-tetrahydropyranyl]oxy]phosphoryl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [hydroxy-[(2s,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]oxy-phosphoryl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [hydroxy-[(2s,3r,4s,5s)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-phosphoryl] hydrogen phosphate
InChIKey DQQDLYVHOTZLOR-YDXBSWQDSA-N
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