3-(3-bromo-4-hydroxyphenyl)-1-[3,5-dibromo-2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propan-1-one
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![3-(3-bromo-4-hydroxyphenyl)-1-[3,5-dibromo-2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propan-1-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/a88da0f0925f46029b9d869892287cf0.png "3-(3-bromo-4-hydroxyphenyl)-1-[3,5-dibromo-2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propan-1-one")
3-(3-bromo-4-hydroxyphenyl)-1-[3,5-dibromo-2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propan-1-one
structure -
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CAS No:
86158-07-8
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Formula:
C21H21Br3O10
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Chemical Name:
3-(3-bromo-4-hydroxyphenyl)-1-[3,5-dibromo-2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propan-1-one
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Synonyms:
1,3,3'-tribromophlorhizin;1,3,3'-tribromophlorizin;86158-07-8;1,3,3'-Tribromophlorizin;1,3,3'-Tribromophlorhizin;DTXSID901006626;2,4-Dibromo-6-[3-(3-bromo-4-hydroxyphenyl)propanoyl]-3,5-dihydroxyphenyl hexopyranoside;1-Propanone, 3-(3-bromo-4-hydroxyphenyl)-1-(3,5-dibromo-2-(beta-D-glucopyranosyloxy)-4,6-dihydroxyphenyl)-
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CAS No:
3-(3-bromo-4-hydroxyphenyl)-1-[3,5-dibromo-2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propan-1-one Basic Attributes
673.1 g/mol
671.86644 g/mol
Computed Properties
Molecular Weight:673.1
XLogP3:2.9
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:7
Exact Mass:671.86644
Monoisotopic Mass:669.86848
Topological Polar Surface Area:177
Heavy Atom Count:34
Complexity:689
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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