1-[3-bromo-2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(3,5-dibromo-4-hydroxyphenyl)propan-1-one
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![1-[3-bromo-2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(3,5-dibromo-4-hydroxyphenyl)propan-1-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/25700854121344e280a2652580945566.png "1-[3-bromo-2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(3,5-dibromo-4-hydroxyphenyl)propan-1-one")
1-[3-bromo-2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(3,5-dibromo-4-hydroxyphenyl)propan-1-one
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CAS No:
86158-09-0
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Formula:
C21H21Br3O10
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Chemical Name:
1-[3-bromo-2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(3,5-dibromo-4-hydroxyphenyl)propan-1-one
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Synonyms:
3,3',5'-tribromophlorhizin;3,3',5'-tribromophlorizin;3,3',5'-Tribromophlorhizin;86158-09-0;3,3',5'-Tribromophlorizin;DTXSID90235425;1-[2-(beta-D-Glucopyranosyloxy)-4,6-dihydroxy-5-bromophenyl]-3-(3,5-dibromo-4-hydroxyphenyl)-1-propanone;1-Propanone, 1-(3-bromo-6-(beta-D-glucopyranosyloxy)-2,4-dihydroxyphenyl)-3-(3,5-dibromo-4-hydroxyphenyl)-
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CAS No:
1-[3-bromo-2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(3,5-dibromo-4-hydroxyphenyl)propan-1-one Basic Attributes
673.1 g/mol
671.86644 g/mol
DTXSID90235425
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:677
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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