Molecule ID: 72715774

IUPAC Name: (2S,3S,5S,6R)-2-[(2R,3R,4R,5R,6R)-5-amino-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxy-6-methyloxane-3,5-diol

Description: The molecule is an amino disaccharide consisting of beta-D-galactosamine having a beta-D-tyvelosyl residue attached at the 3-position and with the anomeric hydroxy group replaced by methoxy. It has a role as an epitope. It is an amino disaccharide and a methyl glycoside.

SMILES: CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](C)[C@@H](O)C[C@@H]2O)[C@H]1N

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

InChI: InChI=1S/C13H25NO8/c1-5-6(16)3-7(17)12(20-5)22-11-9(14)13(19-2)21-8(4-15)10(11)18/h5-13,15-18H,3-4,14H2,1-2H3/t5-,6+,7+,8-,9-,10+,11-,12+,13-/m1/s1

Molecular Properties:
- Polar Surface Area: 144.0 Ų
- LogP: -2.4