Lacto-N-difucohexaose II

N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3R,4R,5R)-1,2,5-trihydroxy-6-oxo-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexan-3-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide

Also Known As: Lacto-N-difucohexaose II|Lndfh-II|Lacto-N-difucohexose II|Lewis A hexaose|LNDFH II|lacto-n-difucopentaose ii|HY-N10532|GAL-BETA1,3(FUC-ALPHA1,4)GLCNAC-BETA1,3GAL-BETA1,4(FUC-ALPHA1,3)GLC|N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3R,4R,5R)-1,2,5-trihydroxy-6-oxo-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexan-3-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide|Galbeta1-3(Fucalpha1-4)GlcNAcbeta1-3Galbeta1-4(Fucalpha1-3)Glc|D-Glucose, O-6-deoxy-alpha-L-galactopyranosyl-(1-3)-O-(O-6-deoxy-alpha-L-galactopyranosyl-(1-4)-O-(beta-D-galactopyranosyl-(1-3))-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1-3)-beta-D-galactopyranosyl-(1-4))-

Molecular Formula	C38H65NO29
Molecular Weight	999.3642 g/mol
LogP	-11.0
Topological Polar Surface Area	482.0 Ų
Hydrogen Bond Donors	18
Hydrogen Bond Acceptors	29
Rotatable Bonds	19
Exact Mass	999.3642
Monoisotopic Mass	999.3642
Heavy Atoms	68
Complexity	1580.0

Chemical Identifiers

CAS Number	6327-36-2
SMILES	C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)NC(=O)C)O[C@H]4[C@H]([C@H](O[C@H]([C@@H]4O)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O[C@H]5[C@H]([C@@H]([C@@H]([C@@H](O5)C)O)O)O)CO)O)CO)O)O)O
InChIKey	QNSWVQWPVUZACH-XCVMNONQSA-N