(2S,3S,4S,5R,6S)-6-[(1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropanecarbonyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
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![(2S,3S,4S,5R,6S)-6-[(1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropanecarbonyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/4263b1f83c3e46709bf52d037baca2b4.png "(2S,3S,4S,5R,6S)-6-[(1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropanecarbonyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid")
(2S,3S,4S,5R,6S)-6-[(1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropanecarbonyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
structure -
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CAS No:
82079-70-7
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Formula:
C14H18Br2O8
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Chemical Name:
(2S,3S,4S,5R,6S)-6-[(1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropanecarbonyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
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Synonyms:
82079-70-7;DTXSID501002460;1-O-[3-(2,2-Dibromoethenyl)-2,2-dimethylcyclopropane-1-carbonyl]hexopyranuronic acid;beta-D-Glucopyranuronic acid, 1-(3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropanecarboxylate), cis-
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CAS No:
(2S,3S,4S,5R,6S)-6-[(1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropanecarbonyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid Basic Attributes
474.10 g/mol
473.93479 g/mol
Computed Properties
Molecular Weight:474.10
XLogP3:1.3
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:473.93479
Monoisotopic Mass:471.93684
Topological Polar Surface Area:134
Heavy Atom Count:24
Complexity:559
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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