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1-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone

1-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone structure

CAS No:
86402-41-7
Formula:
C16H22O9
Chemical Name:
1-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone
Synonyms:
86402-41-7;Glucoacetosyringone;acetosyringyl-beta-glucoside;CHEMBL517838;SCHEMBL8977542;DTXSID401006807;Ethanone, 1-(4-(beta-D-glucopyranosyloxy)-3,5-dimethoxyphenyl)-;4-Acetyl-2,6-dimethoxyphenyl hexopyranoside;4-Acetyl-2,6-dimethoxyphenyl beta-D-glucopyranoside

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1-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone Basic Attributes

Molecular Weight：

358.34 g/mol

Exact Mass：

358.12638228 g/mol

Characteristics

PSA：

135 Å²

Computed Properties

Molecular Weight:358.34
XLogP3:-0.9
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:6
Exact Mass:358.12638228
Monoisotopic Mass:358.12638228
Topological Polar Surface Area:135
Heavy Atom Count:25
Complexity:431
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone

Basic Attributes
Characteristics
Computed Properties

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