[(2R,3S,4R,5R)-5-(Benzimidazol-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [(2R,3S,4R,5R)-5-(3-Carbamoylpyridin-1-Ium-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Phosphono Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C23H28N4O14P2 |
| IUPAC Name | [[(2r,3s,4r,5r)-5-(benzimidazol-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-[[(2r,3s,4r,5r)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy]phosphoryl] hydrogen phosphate |
| Molecular Mass | 646.434 g·mol−1 |
| Heat of Formation | -2728.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 11.88 ± 1.08 D |
| Volume | 649.89 Å 3 |
| Surface Area | 435.94 Å 2 |
| HOMO Energy | -9.20 ± 0.55 eV |
| LUMO Energy | -2.47 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | PCIBFRIXPNQYLE-LVSAFDJGSA-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 |