2-Amino-9-(2-Deoxy-2,2-Difluoropentofuranosyl)-1,9-Dihydro-6H-Purin-6-One

Molecule SVG Image

Properties Simple | Detailed

Formula C10H12F2N5O4
IUPAC Name 2-amino-9-[(2r,4r,5r)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3h-purine-1,7-diium-4-id-6-one
Molecular Mass 304.230 g·mol−1
Heat of Formation -837.9 ± 16.7 kJ·mol−1
Dipole Moment 14.53 ± 1.08 D
Volume 303.71 Å 3
Surface Area 263.39 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy 2.81 ± eV
Point Group Symmetry C1
InChIKey RQIYMUKKPIEAMB-TWOGKDBTSA-P
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O F