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X-alpha-Gal

CAT: 0931-T19825-02Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T19825-02Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
107021-38-5
Target
Others
Related Pathways
Others
Purity
0.9998
Bioactivity
X-alpha-Gal is a substrate for alpha-galactosidase. It is used for differentiating alpha-galactosidase-positive strains of yeast.
Smiles
OC[C@H]1O[C@H](Oc2c[nH]c3ccc(Br)c(Cl)c23)[C@H](O)[C@@H](O)[C@H]1O
Molecular Formula
C14H15BrClNO6
Molecular Weight
408.63
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

X-alpha-Gal

5-bromo-4-chloro-3-indolyl alpha-D-galactoside is an indolyl carbohydrate that is the alpha-D-galactoside of indoxyl in which the indole moiety is substituted at positions 4 and 5 by chlorine and bromine, respectively. It is an indolyl carbohydrate, an organochlorine compound, an organobromine compound, an alpha-D-galactoside and a D-aldohexose derivative. It is functionally related to an indoxyl.

CAS Number107021-38-5
PubChem CID10173103
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 FormulaC14H15BrClNO6
Molecular Weight408.63
XLogP1.2
Topological Polar Surface Area115
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity421
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
InChIKey
OPIFSICVWOWJMJ-YGEXGZRRSA-N
Chemical Structure
2D Structure
2D structure of X-alpha-Gal
CAS: 107021-38-5
CID: 10173103
Formula: C14H15BrClNO6
MW: 408.63
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight408.63
XLogP31.2
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass406.97713
Monoisotopic Mass406.97713
Topological Polar Surface Area115 Ų
Heavy Atom Count23
Formal Charge0
Complexity421
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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