Molecule ID: 132472362

IUPAC Name: (2R,3S,4R,5S,6S)-2-(4-aminobutoxy)-6-methyloxane-3,4,5-triol

Description: The molecule is a glycoside that is alpha-L-fucose in which the hydrogen of the anomeric hydroxy group is replaced by a 4-aminobutyl group. A synthetic version of the alpha-fucosyl glycoside (AFG) epitope from the major peanut allergen glycoprotein Arachis hypogaea h2 (Ara-h2). It has a role as an allergen. It derives from an alpha-L-fucose.

SMILES: C[C@@H]1O[C@@H](OCCCCN)[C@@H](O)[C@H](O)[C@@H]1O

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

InChI: InChI=1S/C10H21NO5/c1-6-7(12)8(13)9(14)10(16-6)15-5-3-2-4-11/h6-10,12-14H,2-5,11H2,1H3/t6-,7+,8+,9-,10+/m0/s1

Molecular Properties:
- Polar Surface Area: 105.0 Ų
- LogP: -1.8