Catalog Number |
ACM85618219 |
CAS |
85618-21-9 |
Structure |
|
Synonyms |
Octyl thioglucoside |
IUPAC Name |
(2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-octylsulfanyloxane-3,4,5-triol |
Molecular Weight |
308.44 |
Molecular Formula |
C14H28O5S |
Canonical SMILES |
CCCCCCCCSC1C(C(C(C(O1)CO)O)O)O |
InChI |
InChI=1S/C14H28O5S/c1-2-3-4-5-6-7-8-20-14-13(18)12(17)11(16)10(9-15)19-14/h10-18H,2-9H2,1H3/t10-,11-,12+,13-,14+/m1/s1 |
InChI Key |
CGVLVOOFCGWBCS-RGDJUOJXSA-N |
Melting Point |
125-131 °C |
Complexity |
254 |
Covalently-Bonded Unit Count |
1 |
Defined Atom Stereocenter Count |
5 |
Exact Mass |
308.16574516 |
Heavy Atom Count |
20 |
Hydrogen Bond Acceptor Count |
6 |
Hydrogen Bond Donor Count |
4 |
Isomeric SMILES |
CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O |
Monoisotopic Mass |
308.16574516 |
Physical State |
Crystalline |
Rotatable Bond Count |
9 |
Topological Polar Surface Area |
115 Ų |
Our products and services are for research use only and cannot be used for any clinical purposes.