9-[(4Xi)-5-S-(2-{[(7-Nitro-1,2,3,4-Tetrahydro-3-Isoquinolinyl)Methyl]Amino}Ethyl)-5-Thio-D-Erythro-Pentofuranosyl]-9H-Purin-6-Amine
Properties
| Property | Value |
|---|---|
| Formula | C22H28N8O5S |
| IUPAC Name | (2r,3r,4s,5r)-2-(6-aminopurine-1,3,7-triium-9-yl)-5-[2-[[(3s)-7-nitro-1,2,3,4-tetrahydroisoquinolin-3-yl]methylamino]ethylsulfanylmethyl]tetrahydrofuran-3,4-diol |
| Molecular Mass | 516.573 g·mol−1 |
| Heat of Formation | -267.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.02 ± 1.08 D |
| Volume | 578.49 Å 3 |
| Surface Area | 404.82 Å 2 |
| HOMO Energy | -8.41 ± 0.55 eV |
| LUMO Energy | -0.91 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | XTRSLZMJUJDRCM-RWAFIUBPSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H S C O N |