CAS
93859-57-5 Purity
96%
93859-57-5 Purity
96%
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b-D-Glucopyranoside,5-bromo-6-chloro-1H-indol-3-yl
CAS
93863-89-9
Catalog Number
ACM93863899
Category
Other Products
Molecular Weight
408.63
Molecular Formula
C14H15BrClNO6
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Specification
Synonyms
5-Bromo-6-chloro-3-indolyl-beta-D-glucopyranoside, Magenta-GAL, Mag-Gal, Magenta-Glc, 93863-89-9, SureCN174647, CTK8F6768, MolPort-020-004-575, AKOS015919327, AG-H-84433, FT-0651638, W0467, 5-Bromo-6-chloro-3-indolyl-|A-D-glucopyranoside, 5-Bromo-6-chloro-3-indolyl-|A-D-galactopyranoside
IUPAC Name
(2S,3R,4S,5S,6R)-2-[(5-bromo-6-chloro-1H-indol-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Canonical SMILES
C1=C2C(=CC(=C1Br)Cl)NC=C2OC3C(C(C(C(O3)CO)O)O)O
InChI Key
CHRVKCMQIZYLNM-RKQHYHRCSA-N
Boiling Point
673.9ºC at 760 mmHg
Flash Point
361.3ºC
Density
1.882 g/cm³
Exact Mass
406.97700
H-Bond Acceptor
6
H-Bond Donor
5
Safety Description
22-24/25
What is the molecular formula of b-D-Glucopyranoside,5-bromo-6-chloro-1H-indol-3-yl?
The molecular formula is C14H15BrClNO6.
When was b-D-Glucopyranoside,5-bromo-6-chloro-1H-indol-3-yl created in PubChem?
It was created on 2006-10-25.
What is the IUPAC name of b-D-Glucopyranoside,5-bromo-6-chloro-1H-indol-3-yl?
The IUPAC name is (2S,3R,4S,5S,6R)-2-[(5-bromo-6-chloro-1H-indol-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol.
How many hydrogen bond donor counts are there in b-D-Glucopyranoside,5-bromo-6-chloro-1H-indol-3-yl?
There are 5 hydrogen bond donor counts.
What is the XLogP3-AA value of b-D-Glucopyranoside,5-bromo-6-chloro-1H-indol-3-yl?
The XLogP3-AA value is 1.2.
What is the topological polar surface area of b-D-Glucopyranoside,5-bromo-6-chloro-1H-indol-3-yl?
The topological polar surface area is 115 Ų.
How many defined atom stereocenter counts are there in b-D-Glucopyranoside,5-bromo-6-chloro-1H-indol-3-yl?
There are 5 defined atom stereocenter counts.
What is the exact mass of b-D-Glucopyranoside,5-bromo-6-chloro-1H-indol-3-yl?
The exact mass is 406.97713 g/mol.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the InChIKey of b-D-Glucopyranoside,5-bromo-6-chloro-1H-indol-3-yl?
The InChIKey is CHRVKCMQIZYLNM-RKQHYHRCSA-N.
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