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Structure

b-D-Glucopyranoside,5-bromo-4-chloro-1H-indol-3-yl 4-O-b-D-glucopyranosyl-

CAS
177966-52-8
Catalog Number
ACM177966528
Category
Other Products
Molecular Weight
570.77
Molecular Formula
C20H25BrClNO11

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Specification

Synonyms
177966-52-8, AGN-PC-00JKVW, 5-Bromo-4-chloro-3-indoxyl-b-D-cellobioside, A812319, S07-0146, (2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-6-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol, 2-[[6-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-4,5-dihydroxy-2-(hydroxymethyl)-3-oxanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol, 2-[6-[(5-bromanyl-4-chloranyl-1H-indol-3-yl)oxy]-2-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
IUPAC Name
2-[6-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Canonical SMILES
C1=CC(=C(C2=C1NC=C2OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)O)O)O)O)O)Cl)Br
InChI Key
TXCDHJGGJYHESA-UHFFFAOYSA-N
Exact Mass
569.03000
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
11
H-Bond Donor
8
Safety Description
26-36
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