1-C-{(2R,4E)-5-(Methylsulfanyl)-1-Oxo-1-[(Sulfooxy)Amino]-4-Penten-2-Yl}-1-Thio-β-D-Glucopyranose
Properties
| Property | Value |
|---|---|
| Formula | C12H21NO10S3 |
| IUPAC Name | [[(e,2s)-5-methylsulfanyl-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 | 435.491 g·mol−1 |
| Heat of Formation | -1639.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.78 ± 1.08 D |
| Volume | 446.24 Å 3 |
| Surface Area | 358.96 Å 2 |
| HOMO Energy | -8.52 ± 0.55 eV |
| LUMO Energy | -0.64 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | SWJBBJAXMGWLFJ-KBYYFDQCSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H S C O N |