(2S)-2-(3,4-dihydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
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![(2S)-2-(3,4-dihydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/9ceeea21375e49e9961fb8c85551c5c6.png "(2S)-2-(3,4-dihydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one")
(2S)-2-(3,4-dihydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
structure -
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CAS No:
30382-18-4
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Formula:
C21H22O10
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Chemical Name:
(2S)-2-(3,4-dihydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
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Synonyms:
iso-coreopsin;isocoreopsin;30382-18-4;Iso-coreopsin;DTXSID50952727;(2S)-2-(3,4-dihydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one;2-(3,4-Dihydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl hexopyranoside;2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-2,3-dihydro-4H-1-benzopyran-4-one
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CAS No:
(2S)-2-(3,4-dihydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one Basic Attributes
434.4 g/mol
434.12129689 g/mol
Computed Properties
Molecular Weight:434.4
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:4
Exact Mass:434.12129689
Monoisotopic Mass:434.12129689
Topological Polar Surface Area:166
Heavy Atom Count:31
Complexity:631
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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