3,4,5-trihydroxy-6-[5-hydroxy-6-methyl-2-(2,4,5-trihydroxy-6-methyloxan-3-yl)oxy-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]oxyoxane-2-carboxylic acid
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![3,4,5-trihydroxy-6-[5-hydroxy-6-methyl-2-(2,4,5-trihydroxy-6-methyloxan-3-yl)oxy-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]oxyoxane-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/b91f3d3c2e0b4a8d9e2cf0a2bc635d3b.png "3,4,5-trihydroxy-6-[5-hydroxy-6-methyl-2-(2,4,5-trihydroxy-6-methyloxan-3-yl)oxy-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]oxyoxane-2-carboxylic acid")
3,4,5-trihydroxy-6-[5-hydroxy-6-methyl-2-(2,4,5-trihydroxy-6-methyloxan-3-yl)oxy-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]oxyoxane-2-carboxylic acid
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CAS No:
139723-49-2
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Formula:
C24H40O19
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Chemical Name:
3,4,5-trihydroxy-6-[5-hydroxy-6-methyl-2-(2,4,5-trihydroxy-6-methyloxan-3-yl)oxy-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]oxyoxane-2-carboxylic acid
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Synonyms:
capsular polysaccharide K98;K98 polysaccharide;polysaccharide K98, E coli;139723-49-2;K98 Polysaccharide;Capsular polysaccharide K98;Polysaccharide K98, E coli;DTXSID30930568;6-deoxyhexopyranosyl-(1->3)-[hexopyranuronosyl-(1->2)]-6-deoxyhexopyranosyl-(1->2)-6-deoxyhexopyranose
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CAS No:
3,4,5-trihydroxy-6-[5-hydroxy-6-methyl-2-(2,4,5-trihydroxy-6-methyloxan-3-yl)oxy-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]oxyoxane-2-carboxylic acid Basic Attributes
632.6 g/mol
632.21637904 g/mol
Computed Properties
Molecular Weight:632.6
XLogP3:-5.6
Hydrogen Bond Donor Count:11
Hydrogen Bond Acceptor Count:19
Rotatable Bond Count:7
Exact Mass:632.21637904
Monoisotopic Mass:632.21637904
Topological Polar Surface Area:304
Heavy Atom Count:43
Complexity:942
Undefined Atom Stereocenter Count:20
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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