4'-Fluoro-4,5-Dihydroxy-N-[(2E)-3-{(2R,3R,4R,5R)-4-Hydroxy-3-Methyl-5-[6-(Propylamino)-9H-Purin-9-Yl]Tetrahydro-2-Furanyl}-2-Propen-1-Yl]-3-Biphenylcarboxamide
Properties
Property | Value |
---|---|
Formula | C29H31FN6O5 |
IUPAC Name | 5-(4-fluorophenyl)-2,3-dihydroxy-n-[(e)-3-[(2r,3r,4r,5r)-4-hydroxy-3-methyl-5-[6-(propylamino)purin-9-yl]tetrahydrofuran-2-yl]allyl]benzamide |
Molecular Mass | 562.592 g·mol−1 |
Heat of Formation | -706.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.64 ± 1.08 D |
Volume | 648.25 Å 3 |
Surface Area | 474.91 Å 2 |
HOMO Energy | -8.45 ± 0.55 eV |
LUMO Energy | 2.34 ± eV |
Point Group Symmetry | C1 |
InChIKey | LOQQCXYJTZBLGY-SPGAZLGQSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C N O F |