Methyl 4-[3-[6-Amino-9-[(2R,3R,4S,5S)-5-(Cyclopropylcarbamoyl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Purine-1,3,7-Triium-2-Yl]Prop-2-Ynyl]Piperidine-1-Carboxylate
Properties
| Property | Value |
|---|---|
| Formula | C23H29N7O6 |
| IUPAC Name | methyl 4-[3-[6-amino-9-[(2r,3r,4s,5s)-5-(cyclopropylcarbamoyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]purine-1,3,7-triium-2-yl]prop-2-ynyl]piperidine-1-carboxylate |
| Molecular Mass | 499.520 g·mol−1 |
| Heat of Formation | -557.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.13 ± 1.08 D |
| Volume | 577.91 Å 3 |
| Surface Area | 457.11 Å 2 |
| HOMO Energy | -9.12 ± 0.55 eV |
| LUMO Energy | -1.27 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | YFXYQTJWZDITCI-RQXXJAGISA-O |
| QR Code | Generate QR Code |
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| Elements | H C O N |