Blood group A trisaccharides

CAS	49777-13-1
Structure
Synonyms	GalNAcα1, 3Galα1, 2Fuc
IUPAC Name	N-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3S,4S,5R)-4,5,6-trihydroxy-1-oxo-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexan-3-yl]oxyoxan-3-yl]acetamide
Molecular Weight	529.49
Molecular Formula	C20H35NO15
Canonical SMILES	C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H](C=O)[C@H]([C@H]([C@@H](CO)O)O)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)NC(=O)C)O)O)O
InChI	InChI=1S/C20H35NO15/c1-6-12(27)16(31)17(32)20(33-6)35-10(5-24)18(13(28)8(26)3-22)36-19-11(21-7(2)25)15(30)14(29)9(4-23)34-19/h5-6,8-20,22-23,26-32H,3-4H2,1-2H3,(H,21,25)/t6-,8+,9+,10-,11+,12+,13-,14-,15+,16+,17-,18+,19+,20-/m0/s1
InChI Key	FLZWAAFMRTZQGV-ULZIYQADSA-N
Purity	95%
Density	1.60±0.1 g/ml
pKa	1.60±0.1