[[(2R,3S,4R,5R)-5-(6-Amino-8H-Purin-9-Ium-8-Ylium-3,6-Diid-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] 3-[5-(2-Fluorophenyl)-1,2,4-Oxadiazol-3-Yl]Benzoate
Properties
Property | Value |
---|---|
Formula | C25H23FN7O9P |
IUPAC Name | [[(2r,3s,4r,5r)-5-(6-amino-8h-purin-9-ium-8-ylium-3,6-diid-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoate |
Molecular Mass | 615.464 g·mol−1 |
Heat of Formation | -1355.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.64 ± 1.08 D |
Volume | 631.3 Å 3 |
Surface Area | 539.22 Å 2 |
HOMO Energy | -9.22 ± 0.55 eV |
LUMO Energy | -1.36 ± eV |
Point Group Symmetry | C1 |
InChIKey | NAKDLLQWPOEPON-VEBYGKHWSA-O |
QR Code | Generate QR Code |
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Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C F H O N P |