4H-1-Benzopyran-4-one, 7-((2(or 6)-O-acetyl-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-

Base Information

• Chemical Name: 4H-1-Benzopyran-4-one, 7-((2(or 6)-O-acetyl-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-
• CAS No.: 79080-62-9
• Molecular Formula: C23H24O12
• Molecular Weight: 492.4295
• DSSTox Substance ID: DTXSID101000250

Synonyms:79080-62-9;4H-1-Benzopyran-4-one, 7-((2(or 6)-O-acetyl-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-;DTXSID101000250;Acetic acid--5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl hexopyranoside (1/1)

Chemical Property of 4H-1-Benzopyran-4-one, 7-((2(or 6)-O-acetyl-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-

Chemical Property:

• Vapor Pressure: 3.14E-26mmHg at 25°C
• Boiling Point: 788.9°C at 760 mmHg
• Flash Point: 280.7°C
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 4
• Exact Mass: 492.12677620
• Heavy Atom Count: 35
• Complexity: 706

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MSDS Files:

Useful:

• Canonical SMILES: CC(=O)O.C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O
• Isomeric SMILES: CC(=O)O.C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O

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