Molecule ID: 91859606

IUPAC Name: (2S,3S,4S,5R,6R)-3,4,6-trihydroxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylic acid

Description: The molecule is a glycosylglucopyranuronic acid that is beta-D-xylopyranose which is linked to beta-D-glucopyranuronic acid by a (1->2) glycosidic bond. It derives from a beta-D-xylose.

SMILES: O=C(O)[C@H]1O[C@@H](O)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O

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

InChI: InChI=1S/C11H18O11/c12-2-1-20-11(6(16)3(2)13)22-8-5(15)4(14)7(9(17)18)21-10(8)19/h2-8,10-16,19H,1H2,(H,17,18)/t2-,3+,4+,5+,6-,7+,8-,10-,11+/m1/s1

Molecular Properties:
- Polar Surface Area: 186.0 Ų
- LogP: -3.9