D-Glucopyranosyl Isothiocyanate, 4-O-α-D-Glucopyranosyl-
Properties
| Property | Value |
|---|---|
| Formula | C13H21NO10S |
| IUPAC Name | (2r,3r,4s,5s,6r)-2-[(2r,3s,4r,5r,6r)-4,5-dihydroxy-2-(hydroxymethyl)-6-isothiocyanato-tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol |
| Molecular Mass | 383.372 g·mol−1 |
| Heat of Formation | -1712.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.63 ± 1.08 D |
| Volume | 420.42 Å 3 |
| Surface Area | 349.93 Å 2 |
| HOMO Energy | -9.22 ± 0.55 eV |
| LUMO Energy | -1.06 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | ZBRBEHIGVFMFAH-AGVQYRFFSA-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 |