Molecule ID: 193572

IUPAC Name: N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3S,4S)-1,3,4,5-tetrahydroxypentan-2-yl]oxyoxan-3-yl]acetamide

Description: The molecule is an amino disaccharide consisting of N-acetyl-D-glucosamine attached to D-ribitol via a beta-(1->4)-linkage; epitope of Staphylococcus aureus. It has a role as an epitope.

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

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

InChI: InChI=1S/C13H25NO10/c1-5(18)14-9-12(22)11(21)8(4-17)24-13(9)23-7(3-16)10(20)6(19)2-15/h6-13,15-17,19-22H,2-4H2,1H3,(H,14,18)/t6-,7+,8+,9+,10-,11+,12+,13+/m0/s1

Molecular Properties:
- Polar Surface Area: 189.0 Ų
- LogP: -4.6