(2S,3S,4S,5R,6S)-6-(4-formyl-2-methoxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
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(2S,3S,4S,5R,6S)-6-(4-formyl-2-methoxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
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CAS No:
96107-45-8
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Formula:
C14H16O9
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Chemical Name:
(2S,3S,4S,5R,6S)-6-(4-formyl-2-methoxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
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Synonyms:
96107-45-8;SCHEMBL16322406;beta-D-Glucopyranosiduronic acid, 4-formyl-2-methylphenyl;DTXSID00914658;4-Formyl-2-methoxyphenyl hexopyranosiduronic acid
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CAS No:
(2S,3S,4S,5R,6S)-6-(4-formyl-2-methoxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid Basic Attributes
328.27 g/mol
328.07943208 g/mol
Computed Properties
Molecular Weight:328.27
XLogP3:-0.6
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:5
Exact Mass:328.07943208
Monoisotopic Mass:328.07943208
Topological Polar Surface Area:143
Heavy Atom Count:23
Complexity:429
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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