9H-Xanthen-9-one, 1,8-dihydroxy-5-(beta-D-glucopyranosyloxy)-3-methoxy-

Base Information

• Chemical Name: 9H-Xanthen-9-one, 1,8-dihydroxy-5-(beta-D-glucopyranosyloxy)-3-methoxy-
• CAS No.: 53734-78-4
• Molecular Formula: C20H20O11
• Molecular Weight: 436.3662
• DSSTox Substance ID: DTXSID30202015
• Wikidata: Q83075267

Synonyms:Bellidifoloside;Isoswertianolin;9H-Xanthen-9-one, 1,8-dihydroxy-5-(beta-D-glucopyranosyloxy)-3-methoxy-;1,8-Dihydroxy-5-(beta-D-glucopyranosyloxy)-3-methoxy-9H-xanthen-9-one;53734-78-4;DTXSID30202015;LS-162462

Chemical Property of 9H-Xanthen-9-one, 1,8-dihydroxy-5-(beta-D-glucopyranosyloxy)-3-methoxy-

Chemical Property:

• Vapor Pressure: 2.12E-28mmHg at 25°C
• Boiling Point: 819.3°Cat760mmHg
• Flash Point: 292.3°C
• Density: 1.668g/cm³
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 4
• Exact Mass: 436.10056145
• Heavy Atom Count: 31
• Complexity: 647

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C2C(=C1)OC3=C(C=CC(=C3C2=O)O)OC4C(C(C(C(O4)CO)O)O)O)O
• Isomeric SMILES: COC1=CC(=C2C(=C1)OC3=C(C=CC(=C3C2=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O

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