4H-1-Benzopyran-4-one, 8-beta-D-glucopyranosyl-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-

Base Information

• Chemical Name: 4H-1-Benzopyran-4-one, 8-beta-D-glucopyranosyl-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-
• CAS No.: 89915-55-9
• Molecular Formula: C23H24 O11
• Molecular Weight: 476.4301
• DSSTox Substance ID: DTXSID401009049
• Wikidata: Q83005730

Synonyms:89915-55-9;DTXSID401009049;1,5-Anhydro-1-[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-4-oxo-4H-1-benzopyran-8-yl]hexitol;4H-1-Benzopyran-4-one, 8-beta-D-glucopyranosyl-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-

Chemical Property of 4H-1-Benzopyran-4-one, 8-beta-D-glucopyranosyl-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-

Chemical Property:

• Vapor Pressure: 1.03E-25mmHg at 25°C
• Boiling Point: 781.4°Cat760mmHg
• Flash Point: 270.9°C
• Density: 1.557g/cm³
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 5
• Exact Mass: 476.13186158
• Heavy Atom Count: 34
• Complexity: 759

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)OC)C4C(C(C(C(O4)CO)O)O)O)O
• Isomeric SMILES: COC1=C(C=CC(=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)OC)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O

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