5-Bromo-4-chloro-3-indolyl-alpha-D-N-acetylneuraminic acid sodium salt

CAS	160369-85-7
Structure
Synonyms	N-Acetyl-2-O-(5-bromo-4-chloro-1H-indol-3-yl)-α-neuraminic acid monosodium salt
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	559.73
Molecular Formula	C19H21BrClN2O9.Na
Canonical SMILES	CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)[O-])OC2=CNC3=C2C(=C(C=C3)Br)Cl)O.[Na+]
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
InChI Key	MNWWXEDVLXNFDD-GNZCRVNMSA-M
Melting Point	183 °C
Purity	98%
Appearance	White to off-white solid