[(2R,3S,5R)-3-Hydroxy-5-(2-Oxo-10H-Pyrimido[5,4-B][1,4]Benzothiazin-1-Ium-3-Yl)Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C15H28N3O7PS++ |
| IUPAC Name | [(2r,3s,5r)-3-hydroxy-5-(2-oxo-10h-pyrimido[5,4-b][1,4]benzothiazin-1-ium-3-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate |
| Molecular Mass | 425.437 g·mol−1 |
| Heat of Formation | -1343.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.08 ± 1.08 D |
| Volume | 423.41 Å 3 |
| Surface Area | 359.25 Å 2 |
| HOMO Energy | -8.03 ± 0.55 eV |
| LUMO Energy | -0.82 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | XGGPOEXAHMEEAR-DUNYWLOYSA-P |
| QR Code | Generate QR Code |
| Links | |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C H O N P S |