[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] 5-[(3As,4S,6Ar)-2-Oxo-1,3,3A,4,6,6A-Hexahydrothieno[3,4-D]Imidazol-4-Yl]Pentanoate
Properties
| Property | Value |
|---|---|
| Formula | C20H30N7O9PS |
| IUPAC Name | [[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] 5-[(3as,4s,6ar)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoate |
| Molecular Mass | 575.533 g·mol−1 |
| Heat of Formation | -1691.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.47 ± 1.08 D |
| Volume | 607.21 Å 3 |
| Surface Area | 526.18 Å 2 |
| HOMO Energy | -9.07 ± 0.55 eV |
| LUMO Energy | -1.01 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | DLEDNBDFOVRPQC-RHCAYAJFSA-O |
| QR Code | Generate QR Code |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C H O N P S |