[(1R,4R,5S,6R)-5-Fluoro-6-Hydroxy-4-(5-Methyl-2,4-Dioxo-Pyrimidin-1-Ium-5-Id-1-Yl)Cyclohex-2-En-1-Yl]Methyl Dihydrogen Phosphate

Molecule SVG Image

Properties Simple | Detailed

Formula C12H16FN2O7P++
IUPAC Name [(1r,4r,5s,6r)-5-fluoro-6-hydroxy-4-(5-methyl-2,4-dioxo-pyrimidin-1-yl)cyclohex-2-en-1-yl]methyl dihydrogen phosphate
Molecular Mass 350.237 g·mol−1
Heat of Formation -1702.5 ± 16.7 kJ·mol−1
Dipole Moment 3.03 ± 1.08 D
Volume 368.03 Å 3
Surface Area 321.06 Å 2
HOMO Energy -9.61 ± 0.55 eV
LUMO Energy 2.39 ± eV
Point Group Symmetry C1
InChIKey SCEMIIMDMHPBIC-DOLQZWNJSA-P
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C F H O N P