5-Bromo-4-chloro-3-indoxyl-alpha-D-glucopyranoside

CAS	108789-36-2
Structure
Synonyms	X-α-D-Glc
IUPAC Name	(2R,3R,4S,5S,6R)-2-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Weight	408.63
Molecular Formula	C14H15BrClNO6
Canonical SMILES	C1=CC(=C(C2=C1NC=C2O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)Cl)Br
InChI	InChI=1S/C14H15BrClNO6/c15-5-1-2-6-9(10(5)16)7(3-17-6)22-14-13(21)12(20)11(19)8(4-18)23-14/h1-3,8,11-14,17-21H,4H2/t8-,11-,12+,13-,14+/m1/s1
InChI Key	OPIFSICVWOWJMJ-HRNXZZBMSA-N
Boiling Point	674 °C
Flash Point	361 °C
Purity	98%
Density	1.882 g/ml
pKa	12.74±0.70
Appearance	Solid