4-[[(2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]-4-oxobutanoic acid
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![4-[[(2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]-4-oxobutanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/03494322b6184be4987bb0c889c2b760.png "4-[[(2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]-4-oxobutanoic acid")
4-[[(2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]-4-oxobutanoic acid
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CAS No:
71634-80-5
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Formula:
C19H18O9
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Chemical Name:
4-[[(2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]-4-oxobutanoic acid
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Synonyms:
71634-80-5;Butanedioic acid, mono(2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl) ester, (2R-trans)-;3beta-(3-Carboxypropionyloxy)-2alpha-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-5,7-diol
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CAS No:
4-[[(2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]-4-oxobutanoic acid Basic Attributes
390.3 g/mol
390.09508215 g/mol
Computed Properties
Molecular Weight:390.3
XLogP3:0.4
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:6
Exact Mass:390.09508215
Monoisotopic Mass:390.09508215
Topological Polar Surface Area:154
Heavy Atom Count:28
Complexity:568
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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