2-[3-acetamido-2-[3-acetamido-2-[3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-6-methyloxan-4-yl]oxy-6-(acetyloxymethyl)-5-hydroxyoxan-4-yl]oxypropanoic acid
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![2-[3-acetamido-2-[3-acetamido-2-[3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-6-methyloxan-4-yl]oxy-6-(acetyloxymethyl)-5-hydroxyoxan-4-yl]oxypropanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/d9b5250db5e84c648881c0db9254294e.png "2-[3-acetamido-2-[3-acetamido-2-[3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-6-methyloxan-4-yl]oxy-6-(acetyloxymethyl)-5-hydroxyoxan-4-yl]oxypropanoic acid")
2-[3-acetamido-2-[3-acetamido-2-[3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-6-methyloxan-4-yl]oxy-6-(acetyloxymethyl)-5-hydroxyoxan-4-yl]oxypropanoic acid
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CAS No:
132194-17-3
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Formula:
C29H47N3O18
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Chemical Name:
2-[3-acetamido-2-[3-acetamido-2-[3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-6-methyloxan-4-yl]oxy-6-(acetyloxymethyl)-5-hydroxyoxan-4-yl]oxypropanoic acid
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Synonyms:
O-specific antigen, Yersinia ruckerii;O-specific antigen, YR;132194-17-3;O-Specific antigen, yersinia ruckerii;O-Specific antigen, YR;DTXSID10927572;6-O-Acetyl-3-O-(1-carboxyethyl)-2-deoxy-2-[(1-hydroxyethylidene)amino]hexopyranosyl-(1->3)-2,6-dideoxy-2-[(1-hydroxyethylidene)amino]hexopyranosyl-(1->3)-2-deoxy-2-[(1-hydroxyethylidene)amino]hexopyra
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CAS No:
2-[3-acetamido-2-[3-acetamido-2-[3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-6-methyloxan-4-yl]oxy-6-(acetyloxymethyl)-5-hydroxyoxan-4-yl]oxypropanoic acid Basic Attributes
725.7 g/mol
725.28546166 g/mol
Computed Properties
Molecular Weight:725.7
XLogP3:-4.7
Hydrogen Bond Donor Count:9
Hydrogen Bond Acceptor Count:18
Rotatable Bond Count:14
Exact Mass:725.28546166
Monoisotopic Mass:725.28546166
Topological Polar Surface Area:307
Heavy Atom Count:50
Complexity:1210
Undefined Atom Stereocenter Count:16
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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