FUCOSYLLACTO-N-HEXAOSE III FROM*HUMAN MI LK

The molecular formula of Fucosyllacto-N-hexaose III from human milk is C46H78N2O35.

The molecular weight of Fucosyllacto-N-hexaose III from human milk is 1219.1 g/mol.

The IUPAC name of Fucosyllacto-N-hexaose III from human milk is N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5R,6S)-2-[[(2R,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxy-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl]acetamide.

The InChIKey of Fucosyllacto-N-hexaose III from human milk is ZOWXNILTUYEOOS-BMIWBPQLSA-N.

The canonical SMILES representation of Fucosyllacto-N-hexaose III from human milk is CC1C(C(C(C(O1)OC2C(C(OC(C2OC3C(C(C(C(O3)CO)O)O)O)CO)OCC4C(C(C(C(O4)OC5C(OC(C(C5O)O)O)CO)O)OC6C(C(C(C(O6)COC7C(C(C(C(O7)CO)O)O)O)O)O)NC(=O)C)O)NC(=O)C)O)O)O.

Fucosyllacto-N-hexaose III from human milk has 22 hydrogen bond donor counts.

Fucosyllacto-N-hexaose III from human milk has 35 hydrogen bond acceptor counts.

The GlyTouCan Accession of Fucosyllacto-N-hexaose III from human milk is G25846VM.

The XLogP3-AA value of Fucosyllacto-N-hexaose III from human milk is -13.9.