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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)-

(2S,3R,4R,5R,6R)-2-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

OC[C@H]1O[C@H](Oc2c[nH]c3c2c(Cl)c(cc3)Br)[C@H]([C@H]([C@@H]1O)O)O Request for Quotation
Chemical Name: (2S,3R,4R,5R,6R)-2-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CAS Number: 125229-64-3
Product Number: AG000ND8(AGN-PC-003HEE)
Synonyms:
MDL No:
Molecular Formula: C14H15BrClNO6
Molecular Weight: 408.6290

Identification/Properties

Computed Properties
Molecular Weight:
408.629g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
5
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
3
Exact Mass:
406.977g/mol
Monoisotopic Mass:
406.977g/mol
Topological Polar Surface Area:
115A^2
Heavy Atom Count:
23
Formal Charge:
0
Complexity:
421
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
5
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:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


5-Bromo-4-chloro-3-indolyl-α-D-mannopyranoside is a versatile compound widely used in chemical synthesis as a substrate for enzymatic assays and detection methods. In biochemistry research, it serves as a substrate for β-galactosidase, a common reporter enzyme used in gene expression studies. By cleaving the glycosidic bond of the mannopyranoside moiety, β-galactosidase generates a blue chromogenic product, making it a valuable tool for monitoring gene expression levels. Additionally, 5-Bromo-4-chloro-3-indolyl-α-D-mannopyranoside can be employed in the synthesis of novel glycoside derivatives through chemical modifications, offering a platform for the development of new compounds with potential pharmaceutical applications. Its selective reactivity and compatibility with a variety of chemical reactions make it an essential building block in organic synthesis and drug discovery endeavors.