[(2R,3S,4R,5R)-5-(2,4-Dioxo-5-Phenyl-3,4-Dihydro-1(2H)-Pyrimidinyl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methyl (2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-Yl Dihydrogen Diphosphate
Properties
| Property | Value |
|---|---|
| Formula | C21H28N2O17P2 |
| IUPAC Name | [[5-(2,4-dioxo-5-phenyl-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] hydrogen phosphate |
| Molecular Mass | 642.398 g·mol−1 |
| Heat of Formation | -3598.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 8.98 ± 1.08 D |
| Volume | 652.71 Å 3 |
| Surface Area | 509.13 Å 2 |
| HOMO Energy | -9.48 ± 0.55 eV |
| LUMO Energy | -1.49 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | MBQWFWCBPKCMTC-ATMROTIPSA-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 |