5-Fluoro-5'-O-β-D-Galactopyranosyluridine

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Properties Simple | Detailed

Formula C15H21FN2O11++
IUPAC Name 1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-[[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydrofuran-2-yl]-5-fluoro-pyrimidine-2,4-dione
Molecular Mass 424.332 g·mol−1
Heat of Formation -2086.4 ± 16.7 kJ·mol−1
Dipole Moment 4.08 ± 1.08 D
Volume 447.07 Å 3
Surface Area 370.61 Å 2
HOMO Energy -9.95 ± 0.55 eV
LUMO Energy -0.94 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-[[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxymethyl]-2-tetrahydrofuranyl]-5-fluoropyrimidine-2,4-dione
  • 1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-[[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxolan-2-yl]-5-fluoro-pyrimidine-2,4-dione
  • 1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-[[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxolan-2-yl]-5-fluoropyrimidine-2,4-dione
  • 1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-[[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydrofuran-2-yl]-5-fluoro-pyrimidine-2,4-dione
  • 1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-[[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]tetrahydrofuran-2-yl]-5-fluoro-pyrimidine-2,4-quinone
InChIKey BTPARJRXLUUYJW-FQKYAJAOSA-N
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