6-[(3β)-Cholest-5-En-3-Yloxy]Hexyl 1-Thio-β-D-Mannopyranoside
Properties
| Property | Value |
|---|---|
| Formula | C39H68O6S |
| IUPAC Name | (2s,3r,4s,5r,6r)-2-[6-[[(3s,8r,9r,10r,13r,14r,17r)-17-[(1r)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl]oxy]hexylsulfanyl]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol |
| Molecular Mass | 665.019 g·mol−1 |
| Heat of Formation | -1502.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.20 ± 1.08 D |
| Volume | 873.01 Å 3 |
| Surface Area | 709.4 Å 2 |
| HOMO Energy | -8.96 ± 0.55 eV |
| LUMO Energy | -0.55 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | CGPHGTBLEBJCCB-BWAMYRMYSA-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 |