2-[(2S,3R,4R,5R,6S)-2-[(2-bromoacetyl)oxymethyl]-3,5,6-tris(carboxymethyl)oxan-4-yl]acetic acid
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![2-[(2S,3R,4R,5R,6S)-2-[(2-bromoacetyl)oxymethyl]-3,5,6-tris(carboxymethyl)oxan-4-yl]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/3a322e2cd7404b51b0717f7e87038e53.png "2-[(2S,3R,4R,5R,6S)-2-[(2-bromoacetyl)oxymethyl]-3,5,6-tris(carboxymethyl)oxan-4-yl]acetic acid")
2-[(2S,3R,4R,5R,6S)-2-[(2-bromoacetyl)oxymethyl]-3,5,6-tris(carboxymethyl)oxan-4-yl]acetic acid
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CAS No:
98416-49-0
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Formula:
C16H21BrO11
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Chemical Name:
2-[(2S,3R,4R,5R,6S)-2-[(2-bromoacetyl)oxymethyl]-3,5,6-tris(carboxymethyl)oxan-4-yl]acetic acid
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Synonyms:
1,2,3,4-tetra-O-acetyl-6-O-bromoacetylgalactopyranose;tetra-Ac-BrAcGal;Tetra-Ac-bracgal;98416-49-0;DTXSID40913281;1,2,3,4-Tetra-O-acetyl-6-O-bromoacetylgalactopyranose;2,2',2'',2'''-(6-{[(Bromoacetyl)oxy]methyl}oxane-2,3,4,5-tetrayl)tetraacetic acid
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CAS No:
2-[(2S,3R,4R,5R,6S)-2-[(2-bromoacetyl)oxymethyl]-3,5,6-tris(carboxymethyl)oxan-4-yl]acetic acid Basic Attributes
469.23 g/mol
468.02672 g/mol
Computed Properties
Molecular Weight:469.23
XLogP3:-0.6
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:12
Exact Mass:468.02672
Monoisotopic Mass:468.02672
Topological Polar Surface Area:185
Heavy Atom Count:28
Complexity:620
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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