6-[(3β,8Xi,9Xi,14Xi)-Cholest-5-En-3-Yloxy]Hexyl 1-Thio-Alpha-D-Mannopyranoside
Properties
Property | Value |
---|---|
Formula | C39H68O6S |
IUPAC Name | (2r,3r,4s,5s,6s)-2-[6-[[(10r,13r,17r)-17-(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 | 4667.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 13.06 ± 1.08 D |
Volume | 651.9 Å 3 |
Surface Area | 540.37 Å 2 |
HOMO Energy | -7.86 ± 0.55 eV |
LUMO Energy | -3.56 ± eV |
Point Group Symmetry | C1 |
InChIKey | CGPHGTBLEBJCCB-DYTFNWJNSA-N |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C S O |