Octadecylthioethyl 4-O-(a-D-galactopyranosyl)-b-D-galactopyranoside

Catalog	DGS87019349
CAS	87019-34-9
Structure
Synonyms	α-d-gal-(1→4)-β-d-gal-1→o-ote
IUPAC Name	2-[4,5-dihydroxy-2-(hydroxymethyl)-6-(2-octadecylsulfanylethoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Weight	654.89
Molecular Formula	C32H62O11S
InChI	InChI=1S/C32H62O11S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-44-20-18-40-31-29(39)27(37)30(24(22-34)42-31)43-32-28(38)26(36)25(35)23(21-33)41-32/h23-39H,2-22H2,1H3
InChI Key	XUKCZBPRMWBCAV-UHFFFAOYSA-N
Purity	≥95%
Complexity	693
Exact Mass	654.40128396
Formal Charge	0
Heavy Atom Count	44
Hydrogen Bond Acceptor Count	12
Hydrogen Bond Donor Count	7
Isomeric SMILES	CCCCCCCCCCCCCCCCCCSCCOC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O
MDL Number	MFCD00078806
Monoisotopic Mass	654.40128396
Rotatable Bond Count	25
Storage Conditions	-20 °C
Topological Polar Surface Area	204 Ų
XLogP3-AA	5.3