Methyl Trans-4-(3-{6-Amino-9-[(2R,3R,4S,5S)-5-(Ethylcarbamoyl)-3,4-Dihydroxytetrahydro-2-Furanyl]-9H-Purin-2-Yl}-2-Propyn-1-Yl)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]purin-2-yl]prop-2-ynyl]cyclohexanecarboxylate |
| Molecular Mass | 486.521 g·mol−1 |
| Heat of Formation | -692.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.49 ± 1.08 D |
| Volume | 567.53 Å 3 |
| Surface Area | 499.5 Å 2 |
| HOMO Energy | -8.92 ± 0.55 eV |
| LUMO Energy | -0.75 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | FLEVIENZILQUKB-XTWQNQIISA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |