O-[(2R,3S,5R)-5-(6-Amino-9H-Purin-9-Yl)-2-(Hydroxymethyl)Tetrahydro-3-Furanyl] O-{[(2R,3S,5R)-3-Hydroxy-5-(5-Methyl-2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)Tetrahydro-2-Furanyl]Methyl} Hydrogen Phosphorothioate
Properties
| Property | Value |
|---|---|
| Formula | C20H26N7O9PS |
| IUPAC Name | (s)-[(2r,3s,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy-hydroxy-[[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-ium-5-id-1-yl)tetrahydrofuran-2-yl]methoxy]-sulfido-phosphonium |
| Molecular Mass | 571.501 g·mol−1 |
| Heat of Formation | 1001.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 16.48 ± 1.08 D |
| Volume | 558.53 Å 3 |
| Surface Area | 503.05 Å 2 |
| HOMO Energy | -8.27 ± 0.55 eV |
| LUMO Energy | -2.81 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | XNGOOGOMEACAQT-HXXMQYRMSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | P S C O N |