Molecule ID: 86290122

IUPAC Name: N-[(2S,3S,4S,5S,6S)-2-[(3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-methyloxan-4-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]acetamide

Description: The molecule is an amino disaccharide consisting of an N-acetyl-alpha-L-fucosaminyl residue linked (1->3) to an N-acetyl-alpha-D-fucosamine residue. It has a role as an epitope.

SMILES: CC(O)=N[C@@H]1[C@H](O[C@H]2[C@@H](O)[C@@H](C)OC(O)[C@@H]2N=C(C)O)O[C@@H](C)[C@@H](O)[C@H]1O

SELFIES: [C][C][Branch1][C][O][=N][C@@H1][C@H1][Branch2][Ring1][=Branch2][O][C@H1][C@@H1][Branch1][C][O][C@@H1][Branch1][C][C][O][C][Branch1][C][O][C@@H1][Ring1][=Branch2][N][=C][Branch1][C][C][O][O][C@@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@H1][Ring2][Ring1][=Branch1][O]

InChI: InChI=1S/C16H28N2O9/c1-5-11(21)13(23)9(17-7(3)19)16(26-5)27-14-10(18-8(4)20)15(24)25-6(2)12(14)22/h5-6,9-16,21-24H,1-4H3,(H,17,19)(H,18,20)/t5-,6+,9-,10+,11+,12-,13-,14+,15?,16-/m0/s1

Molecular Properties:
- Polar Surface Area: 167.0 Ų
- LogP: -3.2