Trigalacturonic acid

(2S,3R,4S,5R,6S)-6-[(2S,3R,4R,5R,6S)-2-carboxy-6-[(1S,2R,3R,4R)-1-carboxy-1,3,4-trihydroxy-5-oxopentan-2-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Also Known As: Trigalacturonic acid|GalA-GalA-GalA|alpha-Gala-gala-gala|TRIGALACTURONICACID|Gala-(1-4)-gala-(1-4)-gala|Gal-a-1,4-Gal-a-1,4-GalA|MSK001119-100W|Trigalacturonic acid Solution in Water, 100ug/mL|(2S,3R,4S,5R,6S)-6-[(2S,3R,4R,5R,6S)-2-carboxy-6-[(1S,2R,3R,4R)-1-carboxy-1,3,4-trihydroxy-5-oxopentan-2-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid|(2S,3R,4S,5R,6S)-6-[(2S,3R,4R,5R,6S)-2-Carboxy-6-[(2S,3R,4R,5R)-2-carboxy-4,5,6-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid|alpha-D-GalA-(1->4)-alpha-D-GalA-(1->4)-alpha-D-GalA|(2S,3R,4R,5R,6S)-6-(((1S,2R,3R,4R)-1-Carboxy-1,3,4-trihydroxy-5-oxopentan-2-yl)oxy)-3-(((2S,3R,4S,5R,6S)-6-carboxy-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-4,5-dihydroxytetrahydro-2H-pyran-2-carboxylic acid|Hexopyranuronosyl-(1->4)hexopyranuronosyl-(1->4)hexuronic acid|O-Galactopyranosyluronic acid-(1-4)-O-galactopyranosyluronic acid-(1-4)-galactopyranosyluronic acid|.ALPHA.-D-GALA-(1->4)-.ALPHA.-D-GALA-(1->4)-.ALPHA.-D-GALA|alpha-D-Galactopyranuronosyl-(1->4)-alpha-D-galactopyranuronosyl-(1->4)-D-galacturonic acid|(2S,3R,4S,5R,6S)-6-[(2S,3R,4R,5R,6S)-2-carboxy-4,5-dihydroxy-6-[(2S,3R,4R,5R)-1,2,4,5-tetrahydroxy-1,6-dioxohexan-3-yl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid|(2S,3R,4S,5R,6S)-6-[(2S,3R,4R,5R,6S)-2-carboxy-6-[(1R,2R,3R)-1-[(S)-carboxy(hydroxy)methyl]-2,3-dihydroxy-4-oxo-butoxy]-4,5-dihydroxy-tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid|D-Galacturonic acid, O-alpha-D-galactopyranuronosyl-(1-4)-O-alpha-D-galactopyranuronosyl-(1-4)-

Molecular Formula	C18H26O19
Molecular Weight	546.1068 g/mol
LogP	-7.4535
Topological Polar Surface Area	327.73 Ų
Hydrogen Bond Donors	11
Hydrogen Bond Acceptors	16
Rotatable Bonds	11
Exact Mass	546.1068
Monoisotopic Mass	546.1068
Heavy Atoms	37
Complexity	835.8364

Chemical Identifiers

CAS Number	6037-45-2
SMILES	C(=O)[C@@H]([C@H]([C@H]([C@@H](C(=O)O)O)O[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)C(=O)O)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)C(=O)O)O)O)O)O)O)O)O