Methyl 4-[5-[(2R,3R,4S,5R)-5-(4-Amino-2-Oxo-Pyrimidin-3-Ium-1-Yl)-2-Azido-4-Fluoro-2-(Hydroxymethyl)Tetrahydrofuran-3-Yl]Oxycarbonyl-7-Methoxy-1,3-Benzodioxol-4-Yl]-7-Methoxy-1,3-Benzodioxole-5-Carboxylate
Properties
| Property | Value |
|---|---|
| Formula | C28H28FN6O13+ |
| IUPAC Name | methyl 4-[5-[(2r,3r,4s,5r)-5-(4-amino-2-oxo-1h-pyrimidin-1-ium-1-yl)-4-fluoro-2-(hydroxymethyl)-2-[(imino-λ5-azanylidene)amino]tetrahydrofuran-3-yl]oxycarbonyl-7-methoxy-1,3-benzodioxol-4-yl]-7-methoxy-1,3-benzodioxole-5-carboxylate |
| Molecular Mass | 675.553 g·mol−1 |
| Heat of Formation | -1635.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 1.78 ± 1.08 D |
| Volume | 694.13 Å 3 |
| Surface Area | 507.43 Å 2 |
| HOMO Energy | -8.82 ± 0.55 eV |
| LUMO Energy | 2.23 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | HZVGKAFWHGSWDL-ZGQHXOITSA-O |
| QR Code | Generate QR Code |
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| Elements | H C N O F |