LS-Tetrasaccharide b (LSTb)

CAS	64003-54-9
Structure
Synonyms	Galβ1, 3GlcNAc(α2, 6Neu5Ac)β1, 3Galβ1, 4Glc
IUPAC Name	5-Acetamido-2-[[5-acetamido-6-[3,5-dihydroxy-2-(hydroxymethyl)-6-(1,2,4,5-tetrahydroxy-6-oxohexan-3-yl)oxyoxan-4-yl]oxy-3-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
Molecular Weight	998.88
Molecular Formula	C37H62N2O29
Canonical SMILES	CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)OCC2C(C(C(C(O2)OC3C(C(OC(C3O)OC(C(CO)O)C(C(C=O)O)O)CO)O)NC(=O)C)OC4C(C(C(C(O4)CO)O)O)O)O)O
InChI	InChI=1S/C37H62N2O29/c1-10(45)38-19-12(47)3-37(36(59)60,68-31(19)22(52)14(49)5-41)61-9-18-25(55)30(66-34-27(57)26(56)23(53)16(7-43)62-34)20(39-11(2)46)33(64-18)67-32-24(54)17(8-44)63-35(28(32)58)65-29(15(50)6-42)21(51)13(48)4-40/h4,12-35,41-44,47-58H,3,5-9H2,1-2H3,(H,38,45)(H,39,46)(H,59,60)
InChI Key	SFMRPVLZMVJKGZ-UHFFFAOYSA-N
Purity	90%
Density	1.74±0.1 g/ml
pKa	1.99±0.70