1-Deoxy-1-[7-(5,5-Difluoro-5-Phosphonopentyl)-2,6,8-Trioxo-1,2,3,6,7,8-Hexahydro-9H-Purin-9-Yl]-D-Arabinitol

Molecule SVG Image

Properties Simple | Detailed

Formula C15H23F2N4O10P
IUPAC Name [1,1-difluoro-5-[2,6,8-trioxo-9-[(2r,3s,4r)-2,3,4,5-tetrahydroxypentyl]-3h-purine-4,5-diid-7-yl]pentyl]phosphonic acid
Molecular Mass 488.334 g·mol−1
Heat of Formation -2580.3 ± 16.7 kJ·mol−1
Dipole Moment 7.02 ± 1.08 D
Volume 505.98 Å 3
Surface Area 400.3 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy -0.46 ± eV
Point Group Symmetry C1
Synonyms
  • [1,1-difluoro-5-[2,6,8-triketo-9-[(2r,3s,4r)-2,3,4,5-tetrahydroxypentyl]-3h-purin-7-yl]pentyl]phosphonic acid
  • tsf
InChIKey ZBEBHCIQAVPUSI-MRTMQBJTSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C F H O N P