(2S,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-N-[[(2S,3S,4R,5R)-5-(2,4-Dioxopyrimidin-1-Yl)-4-Hydroxy-2-(Hydroxymethyl)Tetrahydrofuran-3-Yl]Methylsulfonyl]-3,4-Dihydroxy-Tetrahydrofuran-2-Carboxamide
Properties
| Property | Value |
|---|---|
| Formula | C20H26N8O11S++ |
| IUPAC Name | (2s,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-n-[[(2s,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]methylsulfonyl]-3,4-dihydroxy-tetrahydrofuran-2-carboxamide |
| Molecular Mass | 586.532 g·mol−1 |
| Heat of Formation | -1678.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.34 ± 1.08 D |
| Volume | 591.94 Å 3 |
| Surface Area | 435.06 Å 2 |
| HOMO Energy | -9.33 ± 0.55 eV |
| LUMO Energy | -0.88 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | PQAWVNWQIIUYCT-ZSIUBJGCSA-Q |
| 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 |