5-Bromo-4-chloro-3-indolyl β-d-xylopyranoside

CAS	207606-55-1
Structure
Synonyms	2-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]oxane-3,4,5-triol
IUPAC Name	(2S,3R,4S,5R)-2-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]oxane-3,4,5-triol
Molecular Weight	378.6
Molecular Formula	C13H13BrClNO5
Canonical SMILES	C1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=CNC3=C2C(=C(C=C3)Br)Cl)O)O)O
InChI	InChI=1S/C13H13BrClNO5/c14-5-1-2-6-9(10(5)15)8(3-16-6)21-13-12(19)11(18)7(17)4-20-13/h1-3,7,11-13,16-19H,4H2/t7-,11+,12-,13+/m1/s1
InChI Key	LXVCKAHHHVVOJV-KQXJFYCDSA-N
Boiling Point	621 °C
Flash Point	329 °C
Purity	98%
Density	1.907 g/ml
pKa	12.86±0.70
Appearance	Solid