Molecule ID: 20056682

IUPAC Name: (2R,3R)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-2-hydroxy-2-[(1S)-1-hydroxyethyl]butanedial

Description: The molecule is an amino disaccharide that is a 2-deoxy-2-(methylamino)-alpha-L-glucopyranose ring joined to a L-lyxose with a formyl substituent at position 3. It has a role as a metabolite.

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

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

InChI: InChI=1S/C13H23NO9/c1-6(18)13(21,5-17)8(4-16)23-12-9(14-2)11(20)10(19)7(3-15)22-12/h4-12,14-15,18-21H,3H2,1-2H3/t6-,7-,8-,9-,10-,11-,12-,13+/m0/s1

Molecular Properties:
- Polar Surface Area: 166.0 Ų
- LogP: -3.8