(2S,3S)-4-[(2R,3S,4S)-3,4-Dihydroxy-2-(Hydroxymethyl)Tetrahydro-1-Thiopheniumyl]-1,3-Dihydroxy-2-Butanolate
Properties
| Property | Value |
|---|---|
| Formula | C9H18O6S |
| IUPAC Name | (2s,3s)-4-[(1r,2r,3s,4s)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophen-1-ium-1-yl]butane-1,2,3-triol |
| Molecular Mass | 254.301 g·mol−1 |
| Heat of Formation | -185.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.02 ± 1.08 D |
| Volume | 257.88 Å 3 |
| Surface Area | 238.35 Å 2 |
| HOMO Energy | -9.19 ± 0.55 eV |
| LUMO Energy | -1.63 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | RPLSMILMVIUFAQ-DORWBKLESA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C S O |