Molecule ID: 131801242

IUPAC Name: (2S,3R,4S,5R,6S)-6-[(2S,3R,4R,5R,6S)-2-[(2S,3R,4R,5R,6S)-2-carboxylato-4,5,6-trihydroxyoxan-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate

Description: The molecule is a polyanionic polymer obtained by deprotonation of the carboxy groups of alpha-D-galacturonosyl-[(1->2)-alpha-L-rhamnosyl-(1->4)-alpha-D-galacturonosyl]n; major species at pH 7.3. It is a carbohydrate acid anion and a polyanionic polymer.

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

SELFIES: [C][C@@H1][O][C@@H1][Branch2][Ring1][Branch2][O][C@@H1][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][O][C@@H1][Ring1][=Branch2][C][=Branch1][C][=O][O-1][C@H1][Branch2][Ring1][Branch2][O][C@H1][O][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O-1][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][O][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring1][P][O]

InChI: InChI=1S/C18H28O17/c1-2-3(19)5(21)12(35-17-9(25)4(20)6(22)11(34-17)14(26)27)18(31-2)33-10-7(23)8(24)16(30)32-13(10)15(28)29/h2-13,16-25,30H,1H3,(H,26,27)(H,28,29)/p-2/t2-,3-,4-,5+,6+,7+,8+,9+,10+,11-,12+,13-,16-,17+,18-/m0/s1

Molecular Properties:
- Polar Surface Area: 288.0 Ų
- LogP: -4.0