O-[(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-3,6-Dihydro-9H-Purin-9-Yl)-2-({[(S)-({(2R,3S,4R,5R)-5-(2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)-4-Hydroxy-2-[(Thiophosphonooxy)Methyl]Tetrahydro-3-Furanyl}Oxy)(Sulfan Yl)Phosphoryl]Oxy}Methyl)-4-Hydroxytetrahydro-3-Furanyl] Dihydrogen (R)-Phosphorothioate (Non-Preferred Name)
Properties
| Property | Value |
|---|---|
| Formula | C19H26N7O16P3S3 |
| IUPAC Name | [(2r,3s,4r,5r)-5-(2-amino-6-oxo-3,8-dihydropurine-1,2,4,5,7,8-hexaid-9-yl)-2-[[[(2r,3s,4r,5r)-5-(2,4-dioxo-5h-pyrimidin-1-ium-5-id-1-yl)-4-hydroxy-2-[[hydroxy(sulfanyl)phosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxy-sulfanyl-phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-3-yl]oxy-sulfanyl-phosphinic acid |
| Molecular Mass | 797.563 g·mol−1 |
| Heat of Formation | -1072.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 8.68 ± 1.08 D |
| Volume | 617.87 Å 3 |
| Surface Area | 559.91 Å 2 |
| HOMO Energy | -9.08 ± 0.55 eV |
| LUMO Energy | -3.13 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | PRHQISJBVGJFKN-VXGQQCRQSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | P C S O N |