N-[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl]-2-(2,3-Dihydroxyphenyl)Ethanesulfonamide
Properties
| Property | Value |
|---|---|
| Formula | C18H22N6O7S |
| IUPAC Name | n-[[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl]-2-(2,3-dihydroxyphenyl)ethanesulfonamide |
| Molecular Mass | 466.468 g·mol−1 |
| Heat of Formation | -895.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.69 ± 1.08 D |
| Volume | 498.91 Å 3 |
| Surface Area | 435.32 Å 2 |
| HOMO Energy | -9.19 ± 0.55 eV |
| LUMO Energy | -0.73 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | PARDCTSJVOYJAW-XKLVTHTNSA-O |
| QR Code | Generate QR Code |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H S C O N |