(2S,3S,4S,5R,6S)-6-[3-(2,2-dichloroethenyl)-2-(hydroxymethyl)-2-methylcyclopropanecarbonyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
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![(2S,3S,4S,5R,6S)-6-[3-(2,2-dichloroethenyl)-2-(hydroxymethyl)-2-methylcyclopropanecarbonyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/2428ceac10264d1781d553752fe88431.png "(2S,3S,4S,5R,6S)-6-[3-(2,2-dichloroethenyl)-2-(hydroxymethyl)-2-methylcyclopropanecarbonyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid")
(2S,3S,4S,5R,6S)-6-[3-(2,2-dichloroethenyl)-2-(hydroxymethyl)-2-methylcyclopropanecarbonyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
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CAS No:
61183-31-1
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Formula:
C14H18Cl2O9
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Chemical Name:
(2S,3S,4S,5R,6S)-6-[3-(2,2-dichloroethenyl)-2-(hydroxymethyl)-2-methylcyclopropanecarbonyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
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Synonyms:
61183-31-1;DTXSID10976686;beta-D-Glucopyranuronic acid, 1-(3-(2,2-dichloroethenyl)-2-(hydroxymethyl)-2-methylcyclopropanecarboxylate);1-O-[3-(2,2-Dichloroethenyl)-2-(hydroxymethyl)-2-methylcyclopropane-1-carbonyl]hexopyranuronic acid
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CAS No:
(2S,3S,4S,5R,6S)-6-[3-(2,2-dichloroethenyl)-2-(hydroxymethyl)-2-methylcyclopropanecarbonyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid Basic Attributes
401.2 g/mol
400.0327875 g/mol
Computed Properties
Molecular Weight:401.2
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:6
Exact Mass:400.0327875
Monoisotopic Mass:400.0327875
Topological Polar Surface Area:154
Heavy Atom Count:25
Complexity:579
Defined Atom Stereocenter Count:5
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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