6-O-Acetyl-3-O-(4-C-Acetyl-2,6-Dideoxy-3-O-Methylhexopyranosyl)-1-(4-Amino-3-Carboxy-1-Hydroxy-2,5-Dioxo-3-Cyclohexen-1-Yl)-1,5-Anhydro-4-O-(2-Isothiocyanato-2-Butenoyl)Hexitol
Properties
| Property | Value |
|---|---|
| Formula | C29H36N2O16S |
| IUPAC Name | (3r)-5-cyano-3-[5-(2-isothiocyanatobut-3-enoyloxy)-4-[(6-methylene-5-oxo-3,4-dihydropyran-2,3,4-triid-2-yl)oxy]-3-oxo-6-(oxomethylene)pyran-2-id-2-yl]-4,6-dioxo-6-(oxomethoxy)hex-1-yne-1,3-diolate; ethanolate |
| Molecular Mass | 700.665 g·mol−1 |
| Heat of Formation | 517.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.28 ± 1.08 D |
| Volume | 654.93 Å 3 |
| Surface Area | 505.9 Å 2 |
| Point Group Symmetry | C1 |
| InChIKey | ZIOGVGDMWOZVBR-UVWLQONMSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H S C O N |