4H-1-Benzopyran-4-one, 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-phenyl-

Base Information

• Chemical Name: 4H-1-Benzopyran-4-one, 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-phenyl-
• CAS No.: 68592-14-3
• Molecular Formula: C21H20O10
• Molecular Weight: 432.384
• DSSTox Substance ID: DTXSID90218692
• Wikidata: Q83095590

Synonyms:4H-1-Benzopyran-4-one, 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-phenyl-;68592-14-3;DTXSID90218692

Chemical Property of 4H-1-Benzopyran-4-one, 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-phenyl-

Chemical Property:

• Vapor Pressure: 5.61E-25mmHg at 25°C
• Boiling Point: 770.5°C at 760 mmHg
• PKA: 6.18±0.40(Predicted)
• Flash Point: 274.1°C
• PSA: 170.05000
• Density: 1.7g/cm³
• LogP: 0.04990
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 4
• Exact Mass: 432.10564683
• Heavy Atom Count: 31
• Complexity: 690

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O
• Isomeric SMILES: C1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O

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