3'-Sialyllactose

CAS	128596-80-5
Synonyms	Neu5Acα2, 3Galβ1, 4Glc
IUPAC Name	sodium;(2S,4S,6R)-5-acetamido-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3R,4R,5R)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxyoxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate
Molecular Weight	655.53
Molecular Formula	C23H38NNaO19
Canonical SMILES	CC(=O)NC1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)[O-])O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)CO)O)O.[Na+]
InChI	InChI=1S/C23H39NO19.Na/c1-7(29)24-13-8(30)2-23(22(38)39,42-19(13)15(35)10(32)4-26)43-20-16(36)12(6-28)40-21(17(20)37)41-18(11(33)5-27)14(34)9(31)3-25;/h3,8-21,26-28,30-37H,2,4-6H2,1H3,(H,24,29)(H,38,39);/q;+1/p-1/t8-,9-,10+,11+,12+,13?,14+,15+,16-,17+,18+,19+,20-,21-,23-;/m0./s1
InChI Key	LTWFUJWFLMHANB-YZMHZYKKSA-M
Melting Point	>180 °C (dec.)
Purity	98%
Solubility in Water	Sligthly
Appearance	White to off-white solid