(2S,3S,4S,5R,6S)-4-{[{[(2R,3S,4R,5R)-5-(2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methoxy}(Phosphonooxy)Phosphoryl]Oxy}-3,5,6-Trihydroxytetrahydro-2H-Pyran-2-Carboxylic Acid
Properties
| Property | Value |
|---|---|
| Formula | C15H22N2O18P2 |
| IUPAC Name | (2s,3s,4s,5r,6s)-4-[dihydroxyphosphoryloxy-[[(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy]phosphoryl]oxy-3,5,6-trihydroxy-tetrahydropyran-2-carboxylic acid |
| Molecular Mass | 580.285 g·mol−1 |
| Heat of Formation | -3808.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.13 ± 1.08 D |
| Volume | 568.97 Å 3 |
| Surface Area | 437.43 Å 2 |
| HOMO Energy | -9.90 ± 0.55 eV |
| LUMO Energy | -1.71 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | KTKHGQYPCCMXBN-JXPAPAIZSA-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 |