(4R,5S,6R,7R)-4-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6,7,8-tetrahydroxy-2-oxooctanoic acid
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![(4R,5S,6R,7R)-4-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6,7,8-tetrahydroxy-2-oxooctanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/c8aecbd7d54c4a76888ceb34ca1e2bd6.png "(4R,5S,6R,7R)-4-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6,7,8-tetrahydroxy-2-oxooctanoic acid")
(4R,5S,6R,7R)-4-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6,7,8-tetrahydroxy-2-oxooctanoic acid
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CAS No:
147769-42-4
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Formula:
C14H25NO12
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Chemical Name:
(4R,5S,6R,7R)-4-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6,7,8-tetrahydroxy-2-oxooctanoic acid
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Synonyms:
4-O-(2-amino-2-deoxy-alpha-D-glucopyranosyl)-3-deoxy-D-manno-2-octulosonic acid;4-O-(2-amino-2-deoxy-alpha-glucopyranosyl)-3-deoxy-manno-2-octulosonic acid;GlcN-Kdo;147769-42-4;Glcn-kdo;SCHEMBL4287176;DTXSID40933207;4-O-(2-Amino-2-deoxy-alpha-glucopyranosyl)-3-deoxy-manno-2-octulosonic acid;(4R,5S,6R,7R)-4-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6,7,8-tetrahydroxy-2-oxooctanoic acid;4-O-(2-Amino-2-deoxyhexopyranosyl)-3-deoxyoct-2-ulosonic acid;4-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-3-deoxy-D-manno-2-octulosonic acid
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CAS No:
(4R,5S,6R,7R)-4-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6,7,8-tetrahydroxy-2-oxooctanoic acid Basic Attributes
399.35 g/mol
399.13767523 g/mol
Computed Properties
Molecular Weight:399.35
XLogP3:-7.7
Hydrogen Bond Donor Count:9
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:10
Exact Mass:399.13767523
Monoisotopic Mass:399.13767523
Topological Polar Surface Area:241
Heavy Atom Count:27
Complexity:505
Defined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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