5-Bromo-4-chloro-3-indolyl-alpha-D-galactopyranoside

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Catalog Number
ACM107021385
Product Name
5-Bromo-4-chloro-3-indolyl-alpha-D-galactopyranoside
Structure
Structure
CAS
107021-38-5
Category
Heterocyclic Organic Compound
Synonyms
X-α-D-Gal
IUPAC Name
(2R,3R,4S,5R,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-YGEXGZRRSA-N
Boiling Point
673.9±55.0 °C
Melting Point
230 °C (dec.)
Flash Point
361.3ºC
Density
1.882±0.06 g/ml
Appearance
White to off-white solid
Exact Mass
406.97700
H-Bond Acceptor
6
H-Bond Donor
5
pKa
12.74±0.70
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