2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]acetic acid
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![2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/a1c66164034b46539dcb878e194bbfd0.png "2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]acetic acid")
2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]acetic acid
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CAS No:
68341-45-7
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Formula:
C14H18O9
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Chemical Name:
2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]acetic acid
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Synonyms:
68341-45-7;Phenoxyacetic acid beta-glucoside;Acetic acid, (4-(beta-D-glucopyranosyloxy)phenoxy)-;DTXSID20987884;[4-(Hexopyranosyloxy)phenoxy]acetic acid;[4-(beta-D-Glucopyranosyloxy)phenoxy]acetic acid
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CAS No:
2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]acetic acid Basic Attributes
330.29 g/mol
330.09508215 g/mol
Computed Properties
Molecular Weight:330.29
XLogP3:-1.1
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:6
Exact Mass:330.09508215
Monoisotopic Mass:330.09508215
Topological Polar Surface Area:146
Heavy Atom Count:23
Complexity:382
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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