3-Hydroxy-6-[(4-Hydroxy-7-Methoxy-2-Oxo-2H-Chromen-3-Yl)Carbamoyl]-4-[(2,3,6-Trideoxy-3-Methyl-4-O-Methyl-3-Nitrohexopyranosyl)Oxy]-2-Pyridinecarboxylic Acid
Properties
| Property | Value |
|---|---|
| Formula | C25H25N3O13 |
| IUPAC Name | 5-hydroxy-4-[(2r,4r,5s,6s)-5-methoxy-4,6-dimethyl-4-nitro-tetrahydropyran-2-yl]oxy-2-(methylcarbamoyl)-3h-pyridin-1-ium-6-carboxylate tetrahydrate |
| Molecular Mass | 575.478 g·mol−1 |
| Heat of Formation | -1656.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 0.79 ± 1.08 D |
| Volume | 613.77 Å 3 |
| Surface Area | 519.23 Å 2 |
| HOMO Energy | -9.25 ± 0.55 eV |
| LUMO Energy | 1.84 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | XVSFFNBIQPAXOC-VMZBAHJXSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |