2-(3,4-Dihydroxyphenyl)-5-hydroxy-6-methoxy-4-oxo-4H-1-benzopyran-7-yl β-D-glucopyranosiduronic acid
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2-(3,4-Dihydroxyphenyl)-5-hydroxy-6-methoxy-4-oxo-4H-1-benzopyran-7-yl β-D-glucopyranosiduronic acid
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CAS No:
82657-12-3
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Formula:
C22H20O13
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Chemical Name:
2-(3,4-Dihydroxyphenyl)-5-hydroxy-6-methoxy-4-oxo-4H-1-benzopyran-7-yl β-D-glucopyranosiduronic acid
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Synonyms:
β-D-Glucopyranosiduronic acid,2-(3,4-dihydroxyphenyl)-5-hydroxy-6-methoxy-4-oxo-4H-1-benzopyran-7-yl;2-(3,4-Dihydroxyphenyl)-5-hydroxy-6-methoxy-4-oxo-4H-1-benzopyran-7-yl β-D-glucopyranosiduronic acid;Nepetin 7-glucuronide;Nepetin 7-O-glucuronide
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CAS No:
2-(3,4-Dihydroxyphenyl)-5-hydroxy-6-methoxy-4-oxo-4H-1-benzopyran-7-yl β-D-glucopyranosiduronic acid Basic Attributes
492.4 g/mol
492.39
Computed Properties
Molecular Weight:492.4
XLogP3:0.7
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:5
Exact Mass:492.09039069
Monoisotopic Mass:492.09039069
Topological Polar Surface Area:213
Heavy Atom Count:35
Complexity:832
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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