(2R,3S,4R,5R)-5-(2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)-4-Hydroxy-2-({[Hydroxy(Phosphonooxy)Phosphoryl]Oxy}Methyl)Tetrahydro-3-Furanyl (2S,3S,4R,5R)-5-Acetamido-3,4,6-Trihydroxytetrahydro-2H-Pyran-2-Carboxylate
Properties
| Property | Value |
|---|---|
| Formula | C17H25N3O18P2 |
| IUPAC Name | [(2r,3s,4r,5r)-2-[[dihydroxyphosphoryloxy(hydroxy)phosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-tetrahydrofuran-3-yl] (2s,3s,4r,5r,6s)-5-acetamido-3,4,6-trihydroxy-tetrahydropyran-2-carboxylate |
| Molecular Mass | 621.337 g·mol−1 |
| Heat of Formation | -3806.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.18 ± 1.08 D |
| Volume | 625.6 Å 3 |
| Surface Area | 512.1 Å 2 |
| HOMO Energy | -9.59 ± 0.55 eV |
| LUMO Energy | -1.54 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | AKKXQVKPGGLDKG-SSSNIPLLSA-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 |