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HCID 91553Erstellt: 27. Oktober 2026

4-Methyl-2-oxo-2H-1-benzopyran-7-yl β-D-glucopyranosiduronsure

4-methylumbelliferylglucuronide · 4-Methylumbelliferone glucuronide · MUG · MUGLCU · 4MU-GlcA · 4-MUG trihydrate · 4-Mu-beta-d-glca dihydrate · Hymecromone-beta-D-Glucuronide

https://huagongshe.com/de/chemical/91553

Molekülstruktur von 4-Methyl-2-oxo-2H-1-benzopyran-7-yl β-D-glucopyranosiduronsure

Identifikatoren & physikalische Daten

CAS No.6160-80-1
SummenformelC16H16O9
Durchschnittliche Molmasse352,29 g/mol
Monoisotopische Masse352,07943209 g/mol
SMILESCc1cc(=O)oc2cc(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)ccc12
InChIKeyARQXEQLMMNGFDU-JHZZJYKESA-N
PubChem CID91553
ChEMBLCHEMBL1592343
ChEBICHEBI:1904
EC No.228-186-0
DTXSIDDTXSID10891502
Lokaler Name4-Methyl-2-oxo-2H-1-benzopyran-7-yl β-D-glucopyranosiduronsure

Chemische & physikalische Eigenschaften

XLogP-0,5
Polarare Oberfläche (TPSA)143
H-Brücken-Donoren4
H-Brücken-Akzeptoren9
Frei drehbare Bindungen3
Schwere Atome25
Formalladung0
Komplexität574
LogP (Verteilungskoeffizient)-0.39
Schmelzpunkt102 °C
Siedepunkt683.1±55.0 °C(Predicted)
Dichte1.632±0.06 g/cm3(Predicted)
Lagerbedingungen−20°C
LöslichkeitMethanol (Slightly), Water (Slightly)slightly soluble
pKa (Säurekonstante)2.76±0.70(Predicted)
AggregatzustandWhite crystalline solid
FarbeWhite
Hauptanwendungenagricultureenvironmentalfood and beverages || microbiology
InChIInChI=1/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+/s3
InChIKeyARQXEQLMMNGFDU-YXNYVWNSSA-N
SMILESCC1=CC(=O)OC2=CC(O[C@H]3[C@@H]([C@@H](O)[C@H](O)[C@@H](C(=O)O)O3)O)=CC=C12 |&1:10,11,12,14,16,r|
CAS Datenbank6160-80-1(CAS DataBase Reference)
EPA chemische Informationen.beta.-D-Glucopyranosiduronic acid, 4-methyl-2-oxo-2H-1-benzopyran-7-yl (6160-80-1)

Sicherheit & Vorschriften

GHS-EinstufungThis chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.Not ClassifiedAggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
Regulatorische InformationenChemical: .beta.-D-Glucopyranosiduronic acid, 4-methyl-2-oxo-2H-1-benzopyran-7-ylPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance..beta.-D-Glucopyranosiduronic acid, 4-methyl-2-oxo-2H-1-benzopyran-7-yl: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesNot Classified
Wassergefährdungsklasse (WGK)3
TSCA-Inventar-StatusTSCA listed
Zollcode29329990
R-Sätze (R)22-40
GefahrensymboleXi,Xn
Sicherheitshinweise (S)24/25-36/37
Lagerklasse11 - Combustible Solids

Anwendungen & Verwendung

Verwenden

4-Methylumbelliferyl-beta-D-glucuronide is a substrate for glucuronidase. Also used as a test for coliform bacteria in water. Fluorescence: max. Abs. 316nm; max. Em. 375nm; e x 10-3: 12