[(2S,3S,4S,5R,6R)-6-{[{[{[(2R,3S,4R,5R)-5-(2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methoxy}(Hydroxy)Phosphoryl]Oxy}(Hydroxy)Phosphoryl]Oxy}-3,4,5-Trihydroxytetrahydro-2H-Pyran-2-Yl]Methanesulfonic Acid

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Properties Simple | Detailed

Formula C15H24N2O19P2S
IUPAC Name [(2s,3s,4s,5r,6r)-6-[[[(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methanesulfonic acid
Molecular Mass 630.366 g·mol−1
Heat of Formation -4042.2 ± 16.7 kJ·mol−1
Dipole Moment 3.76 ± 1.08 D
Volume 604.3 Å 3
Surface Area 443.41 Å 2
HOMO Energy -9.89 ± 0.55 eV
LUMO Energy -1.64 ± eV
Point Group Symmetry C1
Synonyms
  • [(2s,3s,4s,5r,6r)-6-[[[(2r,3s,4r,5r)-5-(2,4-diketopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methanesulfonic acid
  • [(2s,3s,4s,5r,6r)-6-[[[(2r,3s,4r,5r)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3,4,5-trihydroxy-2-tetrahydropyranyl]methanesulfonic acid
  • [(2s,3s,4s,5r,6r)-6-[[[(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-3,4,5-trihydroxy-oxan-2-yl]methanesulfonic acid
  • [(2s,3s,4s,5r,6r)-6-[[[(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methanesulfonic acid
  • sulfoquinovose-uridine-c1,5'-diphosphate
  • usq
InChIKey FQANCGQCBCUSMI-JZMIEXBBSA-N
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