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3-Indolyl-β-D-glucuronide

CAT: 0013-GTR19351277-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19351277-02Size:50 mg
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Description
3-Indolyl-β-D-glucuronide is a chromogenic substrate for β-D-glucuronidase, enabling specific E. coli detection in microbiology via blue precipitate formation. It also serves as a research tool for investigating renal failure biomarkers in plasma, applicable in both in vitro assays and clinical studies.
CAS Number
35804-66-1
Field of Research
Metabolism Research
Molecular Weight
309.27
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-Indolyl-beta-D-glucuronide

Inodxyl glucuronide is a glucosiduronic acid.

CAS Number35804-66-1
PubChem CID2733785
IUPAC Name(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(1H-indol-3-yloxy)oxane-2-carboxylic acid
Molecular FormulaC14H15NO7
Molecular Weight309.27
XLogP0.1
Topological Polar Surface Area132
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity420
SMILES
C1=CC=C2C(=C1)C(=CN2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O
InChI
InChI=1S/C14H15NO7/c16-9-10(17)12(13(19)20)22-14(11(9)18)21-8-5-15-7-4-2-1-3-6(7)8/h1-5,9-12,14-18H,(H,19,20)/t9-,10-,11+,12-,14+/m0/s1
InChIKey
KUYNOZVWCFXSNE-BYNIDDHOSA-N
Chemical Structure
2D Structure
2D structure of 3-Indolyl-beta-D-glucuronide
CAS: 35804-66-1
CID: 2733785
Formula: C14H15NO7
MW: 309.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight309.27
XLogP30.1
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass309.08485182
Monoisotopic Mass309.08485182
Topological Polar Surface Area132 Ų
Heavy Atom Count22
Formal Charge0
Complexity420
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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CatalogName
T85433-013-Indolyl-β-D-glucuronide
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