4-Nitrophenyl beta-D-glucuronide - CAS 10344-94-2

Name: 4-Nitrophenyl beta-D-glucuronide
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB001136
Product Name:	4-Nitrophenyl beta-D-glucuronide
CAS:	10344-94-2
Synonyms:	4-Nitrophenyl β-D-glucopyranosiduronic acid; Glucopyranosiduronic acid, p-nitrophenyl, β-D-; 4-Nitrophenol glucuronide; 4-Nitrophenyl glucuronide; 4-Nitrophenyl β-D-glucopyranosiduronate; 4-Nitrophenyl β-D-glucosiduronic acid; 4-Nitrophenyl β-D-glucuronide; p-Nitrophenol glucuronide; p-Nitrophenol β-D-glucuronide; p-Nitrophenol β-glucuronide; p-Nitrophenyl D-glucopyranosiduronic acid; p-Nitrophenyl glucosiduronic acid; p-Nitrophenyl glucuronic acid; p-Nitrophenyl glucuronide; p-Nitrophenyl β-D-glucopyranosiduronic acid; p-Nitrophenyl β-D-glucosiduronic acid; p-Nitrophenyl β-D-glucuronide; p-Nitrophenyl β-glucuronic acid; p-Nitrophenyl β-glucuronide

Technical Data

Related CAS:	89772-41-8 (monosodium salt)
IUPAC Name:	(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-nitrophenoxy)oxane-2-carboxylic acid
Description:	4-Nitrophenyl beta-D-glucuronide is a compound commonly used in the biomedical industry. It is primarily employed as a substrate for the detection and quantification of β-glucuronidase activity in various biological samples. This compound facilitates the study of drug metabolism and the detection of certain diseases related to impaired glucuronidation processes.
Molecular Weight:	315.23
Molecular Formula:	C12H13NO9
Canonical SMILES:	C1=CC(=CC=C1[N+](=O)[O-])OC2C(C(C(C(O2)C(=O)O)O)O)O
InChI:	InChI=1S/C12H13NO9/c14-7-8(15)10(11(17)18)22-12(9(7)16)21-6-3-1-5(2-4-6)13(19)20/h1-4,7-10,12,14-16H,(H,17,18)/t7-,8-,9+,10-,12+/m0/s1
InChI Key:	QSUILVWOWLUOEU-GOVZDWNOSA-N
Boiling Point:	644.4±55.0 °C at 760 mmHg
Melting Point:	137-139 °C
Density:	1.731±0.06 g/cm3
Storage:	Store at -20 °C
MDL:	MFCD00036210
LogP:	-0.61100

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PMID	Publication Date	Title	Journal
21535657	20110101	Extraction, partial characterization, and storage stability of β-glucosidase from propolis	Journal of food science
18998543	20080801	[Expression, characterization and application of thermostable beta-glucuronidase from Thermotoga maritima]	Sheng wu gong cheng xue bao = Chinese journal of biotechnology
18457386	20080612	Prediction and identification of drug interactions with the human ATP-binding cassette transporter multidrug-resistance associated protein 2 (MRP2; ABCC2)	Journal of medicinal chemistry
17961926	20080101	A novel lectin with potent antitumor, mitogenic and HIV-1 reverse transcriptase inhibitory activities from the edible mushroom Pleurotus citrinopileatus	Biochimica et biophysica acta
16844228	20061130	A simple and rapid ion-pair HPLC method for simultaneous quantitation of 4-nitrophenol and its glucuronide and sulfate conjugates	Journal of biochemical and biophysical methods

Complexity:	417
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	5
Defined Bond Stereocenter Count:	0
Exact Mass:	315.05903099
Formal Charge:	0
Heavy Atom Count:	22
Hydrogen Bond Acceptor Count:	9
Hydrogen Bond Donor Count:	4
Isotope Atom Count:	0
Monoisotopic Mass:	315.05903099
Rotatable Bond Count:	3
Topological Polar Surface Area:	162
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.2