Molecule ID: 10874923

IUPAC Name: (2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-azido-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-[(2R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,5-diol

Description: The molecule is the N-glycosyl compound formed from the deoxy trisaccharide 2-deoxy-alpha-D-Gal-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc by replacement of the OH at the anomeric centre of the glucose residue by an azido group. It is a N-glycosyl compound, an azide and a deoxy oligosaccharide derivative.

SMILES: [N-]=[N+]=N[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3C[C@@H](O)[C@@H](O)[C@@H](CO)O3)[C@H]2O)[C@H](O)[C@H]1O

SELFIES: [N-1][=N+1][=N][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch2][Ring2][=Branch2][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@H1][Branch2][Ring1][Ring2][O][C@@H1][C][C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Branch1][Ring1][C][O][O][Ring1][#Branch2][C@H1][Ring2][Ring1][Ring2][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring1][#C][O]

InChI: InChI=1S/C18H31N3O14/c19-21-20-17-13(29)12(28)15(8(4-24)32-17)35-18-14(30)16(11(27)7(3-23)33-18)34-9-1-5(25)10(26)6(2-22)31-9/h5-18,22-30H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12-,13-,14-,15-,16+,17-,18+/m1/s1

Molecular Properties:
- Polar Surface Area: 243.0 Ų
- LogP: -3.8