Octyl b-D-thiogalactopyranoside

Catalog	DGS42891167
CAS	42891-16-7
Structure
Synonyms	n-Octyl-β-D-thio-galactopyranosid
IUPAC Name	(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-octylsulfanyloxane-3,4,5-triol
Molecular Weight	308.44
Molecular Formula	C14H28O5S
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-HTOAHKCRSA-N
Appearance	White to off-white powder
Complexity	254
EC Number	805-254-3
Exact Mass	308.16574516
Formal Charge	0
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
MDL Number	MFCD00133686
Monoisotopic Mass	308.16574516
Rotatable Bond Count	9
Topological Polar Surface Area	115 Ų
XLogP3-AA	2.2