Octyl 2-acetamido-2-deoxy-3-O-(b-D-galactopyranosyl)-b-D-glucopyranoside

Catalog	DGS197390855
CAS	197390-85-5
Synonyms	Gal1-b-3GlcNAc-b-octyl
IUPAC Name	N-[5-hydroxy-6-(hydroxymethyl)-2-octoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
Molecular Weight	495.56
Molecular Formula	C22H41NO11
InChI	InChI=1S/C22H41NO11/c1-3-4-5-6-7-8-9-31-21-15(23-12(2)26)20(17(28)14(11-25)32-21)34-22-19(30)18(29)16(27)13(10-24)33-22/h13-22,24-25,27-30H,3-11H2,1-2H3,(H,23,26)
InChI Key	LAVIBJFXURBICK-UHFFFAOYSA-N
Purity	≥95%
Complexity	597
Exact Mass	495.26796112
Formal Charge	0
Heavy Atom Count	34
Hydrogen Bond Acceptor Count	11
Hydrogen Bond Donor Count	7
Isomeric SMILES	CCCCCCCCOC1C(C(C(C(O1)CO)O)OC2C(C(C(C(O2)CO)O)O)O)NC(=O)C
MDL Number	MFCD02683385
Monoisotopic Mass	495.26796112
Rotatable Bond Count	13
Topological Polar Surface Area	187 Ų
XLogP3-AA	-0.2