b-D-Glucopyranosiduronic acid, 1-pyrenyl


Chemical Name: b-D-Glucopyranosiduronic acid, 1-pyrenyl
CAS Number: 154717-05-2
Product Number: AG00AB1W(AGN-PC-0Q6RLP)
Synonyms:
MDL No:
Molecular Formula: C22H18O7
Molecular Weight: 394.37412

Identification/Properties


Properties
MP:
>176°C (dec.)
Storage:
-10 ℃;Keep in dry area;Light sensitive;
Form:
Solid
Computed Properties
Molecular Weight:
394.379g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
3
Exact Mass:
394.105g/mol
Monoisotopic Mass:
394.105g/mol
Topological Polar Surface Area:
116A^2
Heavy Atom Count:
29
Formal Charge:
0
Complexity:
626
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


NMR Spectrum


Other Analytical Data


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Chemical Structure



1-Hydroxypyrene glucuronide is a valuable compound in chemical synthesis, particularly in the field of environmental and biological research. This glucuronide derivative serves as a key biomarker for the detection and quantification of exposure to polycyclic aromatic hydrocarbons (PAHs), which are common environmental pollutants originating from sources like vehicle emissions, industrial processes, and tobacco smoke.In chemical synthesis, 1-Hydroxypyrene glucuronide is utilized as a versatile intermediate in the development of analytical methods for the identification and measurement of PAH metabolites in biological samples such as urine and blood. Its conjugation with glucuronic acid enhances its water solubility and facilitates its excretion from the body, making it a suitable compound for biomonitoring studies.Researchers and analytical chemists leverage 1-Hydroxypyrene glucuronide in the design of high-performance liquid chromatography (HPLC) and mass spectrometry (MS) protocols for the sensitive and selective analysis of PAH exposure levels. By using this compound in synthesis, scientists can gain valuable insights into the metabolism, distribution, and elimination pathways of PAHs, thereby contributing to the advancement of environmental health and toxicology studies.