4'-Fluoro-N-[(2E)-3-{(2R,3R,4S,5R)-3-Fluoro-4-Hydroxy-5-[6-(Methylamino)-9H-Purin-9-Yl]Tetrahydro-2-Furanyl}-2-Propen-1-Yl]-4,5-Dihydroxy-3-Biphenylcarboxamide
Properties
Property | Value |
---|---|
Formula | C26H24F2N6O5 |
IUPAC Name | n-[(e)-3-[(2r,3r,4s,5r)-3-fluoro-4-hydroxy-5-[6-(methylamino)purine-1,3,7-triium-9-yl]tetrahydrofuran-2-yl]allyl]-5-(4-fluorophenyl)-2,3-dihydroxy-benzamide |
Molecular Mass | 538.503 g·mol−1 |
Heat of Formation | -785.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.61 ± 1.08 D |
Volume | 600.76 Å 3 |
Surface Area | 446.21 Å 2 |
HOMO Energy | -8.71 ± 0.55 eV |
LUMO Energy | 2.32 ± eV |
Point Group Symmetry | C1 |
InChIKey | ZHVVVGDBOITDFN-UJYAWEMASA-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 |