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5-Bromo-4-chloro-3-indolyl-Alpha-D-N-acetylneuraminic Acid, Sodium Salt

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5-Bromo-4-chloro-3-indolyl-Alpha-D-N-acetylneuraminic Acid, Sodium Salt

5-Bromo-4-chloro-3-indolyl-Alpha-D-N-acetylneuraminic Acid, Sodium Salt

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CAT	APS160369857
CAS	160369-85-7
Structure
IUPAC Name	sodium;(2S,4S,5R,6R)-5-acetamido-2-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate
Molecular Weight	559.72
Molecular Formula	C19H21BrClN2O9.Na
Canonical SMILES	[Na+].CC(=O)N[C@@H]1[C@@H](O)C[C@@](Oc2c[nH]c3ccc(Br)c(Cl)c23)(O[C@H]1[C@H](O)[C@H](O)CO)C(=O)[O-]
InChI	InChI=1S/C19H22BrClN2O9.Na/c1-7(25)23-15-10(26)4-19(18(29)30,32-17(15)16(28)11(27)6-24)31-12-5-22-9-3-2-8(20)14(21)13(9)12;/h2-3,5,10-11,15-17,22,24,26-28H,4,6H2,1H3,(H,23,25)(H,29,30);/q;+1/p-1/t10-,11+,15+,16+,17+,19+;/m0./s1

Accurate Mass	558.0017
Format	Neat
Subcategory	Oligosaccharides

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