[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-4-Hydroxy-3-[(3-Oxo-1,2,3Λ5-Dioxaphosphiran-3-Yl)Oxy]Tetrahydrofuran-2-Yl]Methoxy-Oxido-Phosphoryl] [(3R)-3-Hydroxy-4-[[3-[2-[(3S)-3-Hydroxyhexanoyl]Sulfanylethylamino]-3-Oxo-Propyl]Amino]-2,2-Dimethyl-4-Oxo-Butyl] Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C27H46N7O18P3S |
| IUPAC Name | [[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-4-hydroxy-3-[(3-oxo-1,2,3λ5-dioxaphosphiran-3-yl)oxy]tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] [(3r)-3-hydroxy-4-[[3-[2-[(3s)-3-hydroxyhexanoyl]sulfanylethylamino]-3-oxo-propyl]amino]-2,2-dimethyl-4-oxo-butyl] phosphate |
| Molecular Mass | 881.677 g·mol−1 |
| Heat of Formation | -3387.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 8.83 ± 1.08 D |
| Volume | 940.61 Å 3 |
| Surface Area | 747.11 Å 2 |
| HOMO Energy | -9.20 ± 0.55 eV |
| LUMO Energy | -1.07 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | XOFIPKHHKIWXED-IKTBLOROSA-O |
| QR Code | Generate QR Code |
| Links | |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C H O N P S |