Molecule ID: 91857451

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

Description: The molecule is a glycosylxylose consisting of beta-D-glucopyranuronic acid and beta-D-xylopyranose joined in sequence by a (1->4) glycosidic bond. It is a glucosiduronic acid, a glycosylxylose and a monocarboxylic acid.

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

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

InChI: InChI=1S/C11H18O11/c12-3-2(1-20-10(19)6(3)15)21-11-7(16)4(13)5(14)8(22-11)9(17)18/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