N-[(E)-3-[(2R,3S,4R,5R)-3,4-Dihydroxy-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 | C26H25FN6O6 |
IUPAC Name | n-[(e)-3-[(2r,3s,4r,5r)-3,4-dihydroxy-5-[6-(methylamino)purine-1,3,7-triium-9-yl]tetrahydrofuran-2-yl]allyl]-5-(4-fluorophenyl)-2,3-dihydroxy-benzamide |
Molecular Mass | 536.512 g·mol−1 |
Heat of Formation | -814.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.46 ± 1.08 D |
Volume | 596.33 Å 3 |
Surface Area | 461.79 Å 2 |
HOMO Energy | -8.91 ± 0.55 eV |
LUMO Energy | -0.78 ± eV |
Point Group Symmetry | C1 |
InChIKey | MLZBUCOFUBOOMZ-WKWRZTKWSA-O |
QR Code | Generate QR Code |
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Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C N O F |