2-Amino-N-[2-[2-[[(2S,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methylsulfonyl]Ethylamino]-2-Oxo-Ethyl]-7,7-Dimethyl-4-Oxo-3,8-Dihydropteridine-1,5-Diium-6-Carboxamide
Properties
| Property | Value |
|---|---|
| Formula | C23H32N12O8S+ |
| IUPAC Name | 2-amino-n-[2-[2-[[(2s,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methylsulfonyl]ethylamino]-2-oxo-ethyl]-7,7-dimethyl-4-oxo-3,8-dihydropteridine-1,5-diium-6-carboxamide |
| Molecular Mass | 636.641 g·mol−1 |
| Heat of Formation | -1019.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 11.38 ± 1.08 D |
| Volume | 676.02 Å 3 |
| Surface Area | 571.31 Å 2 |
| HOMO Energy | -8.95 ± 0.55 eV |
| LUMO Energy | -1.01 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | SZROEWAUGXIYKX-GWKRVTOESA-P |
| 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 |