(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
Properties
| Property | Value |
|---|---|
| Formula | C22H30N8O5S |
| 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 | 518.589 g·mol−1 |
| Heat of Formation | -171.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.89 ± 1.08 D |
| Volume | 578.63 Å 3 |
| Surface Area | 508.12 Å 2 |
| HOMO Energy | -8.72 ± 0.55 eV |
| LUMO Energy | 1.90 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | IYSXUWJANQTEJG-RWAFIUBPSA-O |
| QR Code | Generate QR Code |
| Links | |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C S O N |