Methyl 4-[3-[6-Amino-9-[(2R,3R,4S,5S)-5-(Ethylcarbamoyl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Purine-1,3,7-Triium-2-Yl]Prop-2-Ynyl]Cyclohexanecarboxylate
Properties
| Property | Value |
|---|---|
| Formula | C23H30N6O6 |
| IUPAC Name | methyl 4-[3-[6-amino-9-[(2r,3r,4s,5s)-5-(ethylcarbamoyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]purine-1,3,7-triium-2-yl]prop-2-ynyl]cyclohexanecarboxylate |
| Molecular Mass | 486.521 g·mol−1 |
| Heat of Formation | -714.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.33 ± 1.08 D |
| Volume | 569.57 Å 3 |
| Surface Area | 477.3 Å 2 |
| HOMO Energy | -9.06 ± 0.55 eV |
| LUMO Energy | 2.10 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | ILBSDZVXPFQXFO-XTWQNQIISA-O |
| QR Code | Generate QR Code |
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| Elements | H C O N |