5-Fluoro-2-Oxo-2,3-Dihydro-4-Pyrimidinyl Methyl β-D-Glucopyranosiduronate

Molecule SVG Image

Properties Simple | Detailed

Formula C11H13FN2O8
IUPAC Name methyl (2s,3s,4s,5r,6s)-6-[(5-fluoro-2-oxo-1h-pyrimidin-6-yl)oxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylate
Molecular Mass 320.228 g·mol−1
Heat of Formation -1436.4 ± 16.7 kJ·mol−1
Dipole Moment 7.48 ± 1.08 D
Volume 330.24 Å 3
Surface Area 297.46 Å 2
HOMO Energy -9.59 ± 0.55 eV
LUMO Energy -1.03 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4s,5r,6s)-6-[(5-fluoro-2-keto-3h-pyrimidin-4-yl)oxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid methyl ester
  • (2s,3s,4s,5r,6s)-6-[(5-fluoro-2-oxo-3h-pyrimidin-4-yl)oxy]-3,4,5-trihydroxy-2-tetrahydropyrancarboxylic acid methyl ester
  • (5-fluoro-1,2-dihydro-2-oxo-4-pyrimidinyl)-beta-d-glucopyranosiduronic acid methyl ester
  • 5-fluorouracil o-beta-d-glucuronide
  • 5-fu o-beta-d-glucuronide
  • fu-o-g
  • glucopyranosiduronic acid, (5-fluoro-1,2-dihydro-2-oxo-4-pyrimidinyl)-, methyl ester, beta-d-
  • methyl (2s,3s,4s,5r,6s)-6-[(5-fluoro-2-oxo-3h-pyrimidin-4-yl)oxy]-3,4,5-trihydroxy-oxane-2-carboxylate
  • methyl (2s,3s,4s,5r,6s)-6-[(5-fluoro-2-oxo-3h-pyrimidin-4-yl)oxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylate
  • methyl (2s,3s,4s,5r,6s)-6-[(5-fluoro-2-oxo-3h-pyrimidin-4-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylate
  • methyl 1-(5-fluoro-1h-2-oxopyrimidin-4-yl)-beta-d-glucopyranuronate
CAS Number(s)
  • 64977-52-2
InChIKey OEAJKPYORNFNEN-XOEVEMGQSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O F