2'-Deoxy-2'-(Fluoromethylene)Cytidine 5'-(Trihydrogen Diphosphate)

Molecule SVG Image

Properties Simple | Detailed

Formula C10H14FN3O10P2
IUPAC Name [(2r,3s,4e,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-4-(fluoromethylene)-3-hydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
Molecular Mass 417.178 g·mol−1
Heat of Formation -2393.1 ± 16.7 kJ·mol−1
Dipole Moment 9.51 ± 1.08 D
Volume 402.22 Å 3
Surface Area 349.87 Å 2
HOMO Energy -9.39 ± 0.55 eV
LUMO Energy -1.57 ± eV
Point Group Symmetry C1
Synonyms
  • 2'-fluoromethylene-2'-deoxycytidine 5'-diphosphate
  • 2-fmcdp
  • [(2r,3s,4e,5r)-5-(4-amino-2-keto-pyrimidin-1-yl)-4-(fluoromethylene)-3-hydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
  • [(2r,3s,4e,5r)-5-(4-amino-2-oxo-1-pyrimidinyl)-4-(fluoromethylene)-3-hydroxy-2-tetrahydrofuranyl]methyl phosphono hydrogen phosphate
  • [(2r,3s,4e,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-4-(fluoromethylene)-3-hydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
  • [(2r,3s,4e,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-4-(fluoromethylidene)-3-hydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate
  • [(2r,3s,4e,5r)-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethylidene)-3-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
CAS Number(s)
  • 177956-38-6
InChIKey VUPKAWMDMNMTNL-ASKVSEFXSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C F H O N P