1-(2-Deoxy-2-Fluoro-β-D-Arabinofuranosyl)-5-Chlorocytosine

Molecule SVG Image

Properties Simple | Detailed

Formula C9H11ClFN3O4
IUPAC Name 4-amino-5-chloro-1-[(2r,3s,4r,5r)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-3-ium-2-one
Molecular Mass 279.653 g·mol−1
Heat of Formation -831.5 ± 16.7 kJ·mol−1
Dipole Moment 4.38 ± 1.08 D
Volume 277.73 Å 3
Surface Area 251.56 Å 2
HOMO Energy -9.61 ± 0.55 eV
LUMO Energy -0.88 ± eV
Point Group Symmetry C1
InChIKey WHOLRWUBNKWAHT-FUYZFFOTSA-O
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C F H Cl O N