4-Amino-1-(2-Deoxy-β-D-Threo-Pentofuranosyl)-5-(Trifluoromethyl)-2(1H)-Pyrimidinone

Molecule SVG Image

Properties Simple | Detailed

Formula C10H12F3N3O4
IUPAC Name 4-amino-1-[(2s,4r,5s)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-(trifluoromethyl)pyrimidin-3-ium-2-one
Molecular Mass 295.215 g·mol−1
Heat of Formation -1300.1 ± 16.7 kJ·mol−1
Dipole Moment 3.95 ± 1.08 D
Volume 299.78 Å 3
Surface Area 267.31 Å 2
HOMO Energy -10.25 ± 0.55 eV
LUMO Energy -1.02 ± eV
Point Group Symmetry C1
InChIKey XNSPCSMIPDACTB-RRKCRQDMSA-O
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O F