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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

b-D-Glucopyranoside, 5-bromo-4-chloro-1H-indol-3-yl4-O-b-D-glucopyranosyl-

OC[C@H]1O[C@@H](Oc2c[nH]c3c2c(Cl)c(cc3)Br)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O)O Request for Quotation
Chemical Name: b-D-Glucopyranoside, 5-bromo-4-chloro-1H-indol-3-yl4-O-b-D-glucopyranosyl-
CAS Number: 177966-52-8
Product Number: AG0025OH(AGN-PC-0QB8F5)
Synonyms:
MDL No:
Molecular Formula: C20H25BrClNO11
Molecular Weight: 570.7696

Identification/Properties

Computed Properties
Molecular Weight:
570.77g/mol
XLogP3:
-0.9
Hydrogen Bond Donor Count:
8
Hydrogen Bond Acceptor Count:
11
Rotatable Bond Count:
6
Exact Mass:
569.03g/mol
Monoisotopic Mass:
569.03g/mol
Topological Polar Surface Area:
194A^2
Heavy Atom Count:
34
Formal Charge:
0
Complexity:
684
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
10
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information

GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


5-Bromo-4-chloro-3-indolyl beta-D-cellobioside is a versatile compound that finds abundant applications in chemical synthesis. Its unique structure featuring a beta-glycosidic linkage to cellobiose enables it to act as a substrate for various enzymatic reactions. In chemical synthesis, this compound serves as a valuable tool for studying glycosidase activity due to its ability to be hydrolyzed by beta-glucosidases. This property makes it particularly useful in the development of enzyme assays and screening for inhibitors or activators of glycosidase enzymes. Additionally, the presence of the 5-bromo-4-chloro-3-indolyl moiety allows for colorimetric detection of enzymatic activity, making it a useful probe in biochemical research and drug discovery efforts. Moreover, the functional group compatibility of 5-Bromo-4-chloro-3-indolyl beta-D-cellobioside enables its incorporation into more complex molecules through chemical modifications, offering opportunities for the design and synthesis of novel biologically active compounds.