Molecule ID: 90659819

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

Description: The molecule is a glycoside that is beta-D-xylose in which the hydrogen of the anomeric hydroxy group is replaced by a 4-aminobutyl group. A synthetic version of the beta-xylosyl glycoside (BXG) epitope from the major peanut allergen glycoprotein Arachis hypogaea h2 (Ara-h2). It has a role as an epitope. It is a glycoside and a xylose derivative. It derives from a beta-D-xylose.

SMILES: NCCCCO[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O

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

InChI: InChI=1S/C9H19NO5/c10-3-1-2-4-14-9-8(13)7(12)6(11)5-15-9/h6-9,11-13H,1-5,10H2/t6-,7+,8-,9-/m1/s1

Molecular Properties:
- Polar Surface Area: 105.0 Ų
- LogP: -2.2