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
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 | -837.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 1.63 ± 1.08 D |
Volume | 594.19 Å 3 |
Surface Area | 434.09 Å 2 |
HOMO Energy | -8.93 ± 0.55 eV |
LUMO Energy | 2.26 ± eV |
Point Group Symmetry | C1 |
InChIKey | ZKIKBFGXAOFVCG-UJYAWEMASA-O |
QR Code | Generate QR Code |
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Elements | H C N O F |