[(2R,3S,5R)-5-(5-Fluoro-2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)-3-Hydroxytetrahydro-2-Furanyl]Methyl (2R,3S,5R)-2-(Hydroxymethyl)-5-(5-Methyl-2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)Tetrahydro-3-Furanyl Hydrogen Phosphate

Molecule SVG Image

Properties Simple | Detailed

Formula C19H24FN4O12P
IUPAC Name [(2r,3s,5r)-5-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl [(2r,3s,5r)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl] hydrogen phosphate
Molecular Mass 550.386 g·mol−1
Heat of Formation -2522.9 ± 16.7 kJ·mol−1
Dipole Moment 5.55 ± 1.08 D
Volume 571.81 Å 3
Surface Area 474.65 Å 2
HOMO Energy -9.61 ± 0.55 eV
LUMO Energy -0.64 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,5r)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-2-methylol-tetrahydrofuran-3-yl] [(2r,3s,5r)-5-(5-fluoro-2,4-diketo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
  • [(2r,3s,5r)-5-(5-fluoro-2,4-dioxo-1-pyrimidinyl)-3-hydroxy-2-tetrahydrofuranyl]methyl [(2r,3s,5r)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-3-tetrahydrofuranyl] hydrogen phosphate
  • [(2r,3s,5r)-5-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl [(2r,3s,5r)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate
  • [(2r,3s,5r)-5-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl [(2r,3s,5r)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl] hydrogen phosphate
  • dtpdfu
  • thymidine, 2'-deoxy-5-fluorouridyl-(5'-3')-
  • thymidylyl-(3'-5')-2'-deoxy-5-fluorouridine
CAS Number(s)
  • 13276-67-0
InChIKey IGJXAMJSWYEODZ-BBZRCZKMSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C F H O N P