N-[(2E)-3-{(2R,3S,4R,5R)-5-[6-(Ethylamino)-9H-Purin-9-Yl]-3,4-Dihydroxytetrahydro-2-Furanyl}-2-Propen-1-Yl]-4'-Fluoro-4,5-Dihydroxy-3-Biphenylcarboxamide
Properties
Property | Value |
---|---|
Formula | C27H27FN6O6 |
IUPAC Name | n-[(e)-3-[(2r,3s,4r,5r)-5-[6-(ethylamino)purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]allyl]-5-(4-fluorophenyl)-2,3-dihydroxy-benzamide |
Molecular Mass | 550.538 g·mol−1 |
Heat of Formation | -821.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 7.33 ± 1.08 D |
Volume | 614.49 Å 3 |
Surface Area | 466.08 Å 2 |
HOMO Energy | -8.72 ± 0.55 eV |
LUMO Energy | -0.84 ± eV |
Point Group Symmetry | C1 |
InChIKey | NOCNCHHJBSJZFZ-CJLJSIFTSA-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 |