Molecule ID: 10493930

IUPAC Name: (2S)-2,4-dihydroxy-N-[(2R,3S,4S,5S,6S)-4-hydroxy-5,6-dimethoxy-2-methyloxan-3-yl]butanamide

Description: The molecule is an N-acyl-hexosamine that is the methyl alpha-glycoside of the terminal moiety, and presumed antigenic determinant, of the O-specific polysaccharide of Vibrio cholerae O:1, serotype Ogawa. It has a role as an epitope. It is a N-acyl-hexosamine and a methyl mannoside. It derives from an alpha-D-mannose.

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

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

InChI: InChI=1S/C12H23NO7/c1-6-8(13-11(17)7(15)4-5-14)9(16)10(18-2)12(19-3)20-6/h6-10,12,14-16H,4-5H2,1-3H3,(H,13,17)/t6-,7+,8-,9+,10+,12+/m1/s1

Molecular Properties:
- Polar Surface Area: 118.0 Ų
- LogP: -2.0