1-C-{(2R,4E)-5-(Methylsulfinyl)-1-Oxo-1-[(Sulfooxy)Amino]-4-Penten-2-Yl}-1-Thio-β-D-Glucopyranose
Properties
| Property | Value |
|---|---|
| Formula | C12H21NO11S3 |
| IUPAC Name | [[(e,2s)-5-[(s)-methylsulfinyl]-2-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-sulfanyl-tetrahydropyran-2-yl]pent-4-enoyl]amino] hydrogen sulfate |
| Molecular Mass | 451.490 g·mol−1 |
| Heat of Formation | -1789.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.23 ± 1.08 D |
| Volume | 453.71 Å 3 |
| Surface Area | 352.29 Å 2 |
| HOMO Energy | -8.64 ± 0.55 eV |
| LUMO Energy | -1.08 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | URMYQRGDHJRORU-DAKCJRTBSA-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 |