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

Catalog	BBC4264828
CAS	4264-82-8
Structure
Synonyms	N-Acetyl-5-bromo-4-chloro-3-indolyl-beta-D-glucosaminide
IUPAC Name	N-[(2S,3R,4R,5S,6R)-2-[(5-bromo-4-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=C2C(=C(C=C3)Br)Cl)CO)O)O
InChI	InChI=1S/C16H18BrClN2O6/c1-6(22)20-13-15(24)14(23)10(5-21)26-16(13)25-9-4-19-8-3-2-7(17)12(18)11(8)9/h2-4,10,13-16,19,21,23-24H,5H2,1H3,(H,20,22)/t10-,13-,14-,15-,16-/m1/s1
InChI Key	SUWPNTKTZYIFQT-XZINFULNSA-N
Melting Point	240 °C (lit.)
Purity	98%
Density	1.78±0.1 g/ml
Appearance	Solid
pKa	12.87±0.70