[(1S,2R,3S,4S)-1-[(1S)-2-[(1S,2R,3S,4S)-3,4-Dihydroxy-2-(Hydroxymethyl)Tetrahydrothiophen-1-Ium-1-Yl]-1-Hydroxy-Ethyl]-2,3,4,5-Tetrahydroxy-Pentyl] Sulfate
Properties
| Property | Value |
|---|---|
| Formula | C12H26O12S2 |
| IUPAC Name | [(1s,2r,3s,4s)-1-[(1s)-2-[(1s,2r,3s,4s)-3,4-dihydroxy-2-(hydroxymethyl)-1λ4-thiolan-1-yl]-1-hydroxy-ethyl]-2,3,4,5-tetrahydroxy-pentyl] hydrogen sulfate |
| Molecular Mass | 426.458 g·mol−1 |
| Heat of Formation | -2257.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 9.80 ± 1.08 D |
| Volume | 431.2 Å 3 |
| Surface Area | 345.67 Å 2 |
| HOMO Energy | -10.30 ± 0.55 eV |
| LUMO Energy | -2.17 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | HZTNSMGDQZUPJI-PWMFLBQCSA-N |
| QR Code | Generate QR Code |
| Links | |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C S O |