(2R)-2-{[(2R,3R,4R,5S,6R)-3-Acetamido-2-{[(R)-{[(S)-{[(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}-5-Hydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-4-Yl]Oxy}-3-Fluoro-2-(Phosphonooxy)Propanoic Acid

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Properties Simple | Detailed

Formula C20H31FN3O23P3++
IUPAC Name (2r)-2-[(2r,3r,4r,5s,6r)-3-acetamido-2-[[[(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxy-3-fluoro-2-phosphonooxy-propanoic acid
Molecular Mass 793.386 g·mol−1
Heat of Formation -5289.1 ± 16.7 kJ·mol−1
Dipole Moment 13.33 ± 1.08 D
Volume 774.64 Å 3
Surface Area 593.3 Å 2
HOMO Energy -9.56 ± 0.55 eV
LUMO Energy -1.55 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-[(2r,3r,4r,5s,6r)-3-acetamido-2-[[[(2r,3s,4r,5r)-5-(2,4-diketopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-5-hydroxy-6-methylol-tetrahydropyran-4-yl]oxy-3-fluoro-2-phosphonooxy-propionic acid
  • (2r)-2-[(2r,3r,4r,5s,6r)-3-acetamido-2-[[[(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-fluoro-2-phosphonooxy-propanoic acid
  • (2r)-2-[(2r,3r,4r,5s,6r)-3-acetamido-2-[[[(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxy-3-fluoro-2-phosphonooxy-propanoic acid
  • (2r)-2-[[(2r,3r,4r,5s,6r)-3-acetamido-2-[[[(2r,3s,4r,5r)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-5-hydroxy-6-(hydroxymethyl)-4-tetrahydropyranyl]oxy]-3-fluoro-2-phosphonooxypropanoic acid
  • tet
  • uridine-diphosphate-2(n-acetylglucosaminyl-3-fluoro-2-phosphonooxy)propionic acid
InChIKey FUDVRUWZNPQAFR-BVDGEXFOSA-N
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