Molecule ID: 91862458

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

Description: The molecule is a disaccharide derivative consisting of 3-O-sulfo-beta-D-glucopyranuronic acid and D-xylopyranose joined by a (1->4) glycosidic linkage. It is a glucosiduronic acid, a disaccharide derivative and an oligosaccharide sulfate.

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

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

InChI: InChI=1S/C11H18O14S/c12-3-2(1-22-10(18)4(3)13)23-11-6(15)7(25-26(19,20)21)5(14)8(24-11)9(16)17/h2-8,10-15,18H,1H2,(H,16,17)(H,19,20,21)/t2-,3+,4-,5+,6-,7+,8+,10?,11-/m1/s1

Molecular Properties:
- Polar Surface Area: 238.0 Ų
- LogP: -4.3