4-[[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]benzoic acid
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![4-[[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/bb7251d31e9e4756aac7cad2bc68a802.png "4-[[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]benzoic acid")
4-[[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]benzoic acid
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CAS No:
72150-99-3
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Formula:
C13H17NO7
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Chemical Name:
4-[[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]benzoic acid
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Synonyms:
4-aminobenzoic acid-N-mannoside;4-aminobenzoic acid-N-mannoside mono-Na salt(alpha-D)-isomer;4-aminobenzoic acid-N-mannoside, mono-Na salt(D-isomer);72150-99-3;K-MAP;4-Aminobenzoic acid-N-mannoside sodium salt;4-Aminobenzoic acid-N-mannoside;DTXSID40992874;Benzoic acid, 4-(D-mannopyranosylamino)-
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CAS No:
4-[[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]benzoic acid Basic Attributes
299.28 g/mol
299.10050188 g/mol
Computed Properties
Molecular Weight:299.28
XLogP3:-0.7
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:4
Exact Mass:299.10050188
Monoisotopic Mass:299.10050188
Topological Polar Surface Area:140
Heavy Atom Count:21
Complexity:358
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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