2-{[(3R,4R,5S,6R)-3-Acetamido-2-({[({[(2R,3S,4R,5R)-5-(2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methoxy}Phosphinato)Oxy]Phosphinato}Oxy)-5-Hydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-4-Yl]Oxy}Acrylate
Properties
| Property | Value |
|---|---|
| Formula | C20H29N3O19P2 |
| IUPAC Name | 2-[(2r,3r,4r,5r,6r)-3-acetamido-2-[[[(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxyprop-2-enoic acid |
| Molecular Mass | 677.400 g·mol−1 |
| Heat of Formation | -3898.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.24 ± 1.08 D |
| Volume | 693.26 Å 3 |
| Surface Area | 567.75 Å 2 |
| HOMO Energy | -9.86 ± 0.55 eV |
| LUMO Energy | -1.93 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | BEGZZYPUNCJHKP-ZDFMKFTCSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | P C H O N |