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4-Methylumbelliferyl-α-L-Iduronide

CAT: 0013-GTR19191470-01Size: 500 µgDry Ice: NoHazardous: No
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CAT#:0013-GTR19191470-01Size:500 µg
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Description
This fluorogenic substrate is widely used to assay α-L-iduronidase enzyme activity in vitro. It is essential for research on lysosomal storage disorders like Mucopolysaccharidosis I, enabling both biochemical characterization and high-throughput screening of potential therapeutic agents.
CAS Number
66966-09-4
Smiles
CC=1C=2C (=CC (O[C@@H]3O[C@@H] (C (O) =O) [C@@H] (O) [C@H] (O) [C@H]3O) =CC2) OC (=O) C1
Molecular Formula
C16H16O9
Molecular Weight
352.29
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-Methylumbelliferyl alpha-L-iduronide

fluorogenic substrate for (alpha-L)-iduronidase

CAS Number66966-09-4
PubChem CID128746
IUPAC Name(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-methyl-2-oxochromen-7-yl)oxyoxane-2-carboxylic acid
Molecular FormulaC16H16O9
Molecular Weight352.29
XLogP-0.5
Topological Polar Surface Area143
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity574
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@@H](O3)C(=O)O)O)O)O
InChI
InChI=1S/C16H16O9/c1-6-4-10(17)24-9-5-7(2-3-8(6)9)23-16-13(20)11(18)12(19)14(25-16)15(21)22/h2-5,11-14,16,18-20H,1H3,(H,21,22)/t11-,12-,13+,14+,16+/m0/s1
InChIKey
ARQXEQLMMNGFDU-ZHMBSYLPSA-N
Chemical Structure
2D Structure
2D structure of 4-Methylumbelliferyl alpha-L-iduronide
CAS: 66966-09-4
CID: 128746
Formula: C16H16O9
MW: 352.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight352.29
XLogP3-0.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Exact Mass352.07943208
Monoisotopic Mass352.07943208
Topological Polar Surface Area143 Ų
Heavy Atom Count25
Formal Charge0
Complexity574
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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