Molecule ID: 72715852

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

Description: The molecule is an amino disaccharide consisting of 6-O-methyl-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: COC[C@H]1O[C@@H](OC)[C@H](N)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)C[C@@H]2O)[C@H]1O

SELFIES: [C][O][C][C@H1][O][C@@H1][Branch1][Ring1][O][C][C@H1][Branch1][C][N][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][O]

InChI: InChI=1S/C14H27NO8/c1-6-7(16)4-8(17)13(21-6)23-12-10(15)14(20-3)22-9(5-19-2)11(12)18/h6-14,16-18H,4-5,15H2,1-3H3/t6-,7+,8+,9-,10-,11+,12-,13+,14-/m1/s1

Molecular Properties:
- Polar Surface Area: 133.0 Ų
- LogP: -2.4