Lacto-N-neotetraose

N-[(2S,3R,4R,5S,6R)-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-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide

Also Known As: lacto-N-neotetraose|LNnT|Neolactotetraose|Lacto-N-tetraose|N-NEOTETRAOSE|Lacto-N-neo-tetraose|Lactulose Impurity 26|HY-N9445|Lacto-N-neotetraose, 95% - 1MG 1mg|Gal-b-1,4-GlcNAc-b-1,3-Gal-b-1,4-Glc|J1.099.713E|Galbeta1 4GlcNAcbeta1 3Galbeta1 4Glc|B1370-163356|N-[(2S,3R,4R,5S,6R)-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-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide|EC-D-Gal-(1 L4)-EC-D-GlcNAc-(1 L3)-EC-D-Gal-(1 L4)-D-Glc|LNnT; Lacto-N-neotetraose; Gal-b-1,4-GlcNAc-b-1,3-Gal-b-1,4-Glc|N-[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-{[(2R,3R,4R,5R)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxy}oxan-4-yl]oxy}-4-hydroxy-6-(hydroxymethyl)-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl]acetamide|A-d-galactopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-|A-d-glucopyranosyl-(1->3)-|A-d-galactopyranosyl-(1->4)-d-glucose|4-O-[3-O-[2-(Acetylamino)-4-O-beta-D-galactopyranosyl-2-deoxy-beta-D-glucopyranosyl]-beta-D-galactopyranosyl]-D-glucose|beta-D-Galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-D-glucose|D-GLUCOSE, O-.BETA.-D-GALACTOPYRANOSYL-(1->4)-O-2-(ACETYLAMINO)-2-DEOXY-.BETA.-D-GLUCOPYRANOSYL-(1->3)-O-.BETA.-D-GALACTOPYRANOSYL-(1->4)-|D-GLUCOSE, O-BETA-D-GALACTOPYRANOSYL-(1->4)-O-2-(ACETYLAMINO)-2-DEOXY-BETA-D-GLUCOPYRANOSYL-(1->3)-O-BETA-D-GALACTOPYRANOSYL-(1->4)-|D-Glucose, O-beta-D-galactopyranosyl-(1-4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1-3)-O-beta-D-galactopyranosyl-(1-4)-|GLUCOPYRANOSE, O-.BETA.-D-GALACTOPYRANOSYL-(1->4)-O-2-ACETAMIDO-2-DEOXY-.BETA.-D-GLUCOPYRANOSYL-(1->3)-O-.BETA.-D-GALACTOPYRANOSYL-(1->4)-, D-|N-((2S,3R,4R,5S,6R)-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)oxy)tetrahydro-2H-pyran-4-yl)oxy)-4-hydroxy-6-(hydroxymethyl)-5-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-3-yl)acetamide|N-[(2S,3R,4R,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-[(1R,2R,3R)-1-[(1R)-1,2-dihydroxyethyl]-2,3-dihydroxy-4-oxo-butoxy]-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]acetamide

Molecular Formula	C26H45NO21
Molecular Weight	707.2484 g/mol
LogP	-9.76
Topological Polar Surface Area	364.54 Ų
Hydrogen Bond Donors	14
Hydrogen Bond Acceptors	21
Rotatable Bonds	15
Exact Mass	707.2484
Heavy Atoms	48
Complexity	1010.7

Chemical Identifiers

CAS Number	13007-32-4
SMILES	CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[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)CO)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O