(2S)-N-[(2S,3R,4R,5R)-5-[6-(Dimethylamino)Purine-1,3,7-Triium-9-Yl]-4-Hydroxy-2-(Hydroxymethyl)Tetrahydrofuran-3-Yl]-2-[(2-Iodoacetyl)Amino]-3-(4-Methoxyphenyl)Propanamide
Properties
| Property | Value |
|---|---|
| Formula | C24H30IN7O6 |
| IUPAC Name | (2s)-n-[(2s,3r,4r,5r)-5-[6-(dimethylamino)purine-1,3,7-triium-9-yl]-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]-2-[(2-iodoacetyl)amino]-3-(4-methoxyphenyl)propanamide |
| Molecular Mass | 639.443 g·mol−1 |
| Heat of Formation | -741.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.79 ± 1.08 D |
| Volume | 647.38 Å 3 |
| Surface Area | 442.27 Å 2 |
| HOMO Energy | -8.52 ± 0.55 eV |
| LUMO Energy | -0.35 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | QIZTUJUWOGMXFI-NISSAYFKSA-O |
| QR Code | Generate QR Code |
| Links | |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | I H C O N |