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

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Properties Simple | Detailed

Formula C15H11FN2O17P2
IUPAC Name [[(2r,3s,4r,5r)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate
Molecular Mass 572.197 g·mol−1
Heat of Formation -3864.0 ± 16.7 kJ·mol−1
Dipole Moment 7.12 ± 1.08 D
Volume 565.85 Å 3
Surface Area 432.7 Å 2
HOMO Energy -10.13 ± 0.55 eV
LUMO Energy -1.69 ± eV
Point Group Symmetry C1
Synonyms
  • 5-fluorouridine 5'-diphosphate galactose
  • [[(2r,3s,4r,5r)-5-(5-fluoro-2,4-diketo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl] hydrogen phosphate
  • [[(2r,3s,4r,5r)-5-(5-fluoro-2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methoxy-hydroxyphosphoryl] [(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl] hydrogen phosphate
  • [[(2r,3s,4r,5r)-5-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate
  • [[(2r,3s,4r,5r)-5-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] hydrogen phosphate
  • fudp-5
CAS Number(s)
  • 92748-40-8
InChIKey WHZCDJHTQCDILG-FQKYAJAOSA-N
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