2H-1-Benzopyran-2-one, 6-(beta-D-glucopyranosyloxy)-7-hydroxy-

Base Information

• Chemical Name: 2H-1-Benzopyran-2-one, 6-(beta-D-glucopyranosyloxy)-7-hydroxy-
• CAS No.: 66778-17-4
• Molecular Formula: 2C15H16O9^.3H2O
• Molecular Weight: 734.62
• Hs Code.: 2938 90 90
• European Community (EC) Number: 686-183-3
• ChEMBL ID: CHEMBL359043
• DSSTox Substance ID: DTXSID50859464
• Metabolomics Workbench ID: 132464
• NSC Number: 26665
• Wikidata: Q104397911
• Mol file: 66778-17-4.mol

Synonyms:NSC26665;SCHEMBL2894;Oprea1_018958;2H-1-Benzopyran-2-one, 6-(.beta.-D-glucopyranosyloxy)-7-hydroxy-;CHEMBL359043;SCHEMBL13096303;SCHEMBL20179973;DTXSID50859464;BDBM237203;HMS3651K16;6,7-Dihydroxycoumarin-6-glucoside;ZINC00001368;AKOS024282472;NCGC00017242-02;NCGC00142472-01;7-hydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)(2H-3,4,5,6-tetrahydropyran-2-y loxy)]chromen-2-one;LS-14393;FT-0603455;7-Hydroxy-2-oxo-2H-1-benzopyran-6-yl hexopyranoside;6-(beta-D-Glucopyranosyloxy)-7-hydroxy-2H-1- benzopyran-2-one

Chemical Property of 2H-1-Benzopyran-2-one, 6-(beta-D-glucopyranosyloxy)-7-hydroxy-

Chemical Property:

• Melting Point: 203-205 °C
• PSA: 159.05000
• Density: 0.791 g/mL at 20 °C
• LogP: -1.38700
• Storage Temp.: Store at +15°C to +25°C.
• Sensitive.: Air Sensitive & Hygroscopic
• Solubility.: methanol: 50 mg/mL hot, clear to very faintly turbid, yello
• Water Solubility.: Slightly soluble in water.
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 3
• Exact Mass: 340.07943208
• Heavy Atom Count: 24
• Complexity: 495

Purity/Quality:

≥98% ^*data from raw suppliers

Esculin Sesquihydrate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,C,Xi
• Hazard Codes: F,C,Xi
• Statements: 11-20/21/22-34-68/20/21/22-36/37/38
• Safety Statements: 26-36/37/39-45-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=O)OC2=CC(=C(C=C21)OC3C(C(C(C(O3)CO)O)O)O)O
• Uses: Esculin sesquihydrate is used to inhibits chemically induced carcinogenesis in mouse skin and kidney, used in a microbiology laboratory to aid in the identification of bacterial species, a naturally occurring antioxidant.