5-Bromo-4-chloro-3-indolyl-N-acetyl-β-D-glucosaminide

CAS	5609-91-6
Structure
Synonyms	5-Bromo-6-chloro-3-indolyl 2-acetamido-2-deoxy-b-D-glucopyranoside
IUPAC Name	N-[(2S,3R,4R,5S,6R)-2-[(5-bromo-6-chloro-1H-indol-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Molecular Weight	449.68
Molecular Formula	C16H18BrClN2O6
Canonical SMILES	CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC2=CNC3=CC(=C(C=C32)Br)Cl)CO)O)O
InChI	InChI=1S/C16H18BrClN2O6/c1-6(22)20-13-15(24)14(23)12(5-21)26-16(13)25-11-4-19-10-3-9(18)8(17)2-7(10)11/h2-4,12-16,19,21,23-24H,5H2,1H3,(H,20,22)/t12-,13-,14-,15-,16-/m1/s1
InChI Key	GJFJDKFSKAEJGX-OXGONZEZSA-N
Melting Point	240 °C (lit.)
Purity	98%
Appearance	Solid