4-[[(2R)-2-hydroxy-3,3-dimethyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoyl]amino]butanoic acid
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![4-[[(2R)-2-hydroxy-3,3-dimethyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoyl]amino]butanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/c38f9e625b994eda80ffc1b87168f1ef.png "4-[[(2R)-2-hydroxy-3,3-dimethyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoyl]amino]butanoic acid")
4-[[(2R)-2-hydroxy-3,3-dimethyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoyl]amino]butanoic acid
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CAS No:
106083-70-9
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Formula:
C16H29NO10
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Chemical Name:
4-[[(2R)-2-hydroxy-3,3-dimethyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoyl]amino]butanoic acid
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Synonyms:
4'-O-(beta-D-glucopyranosyl)-D-hopantenic acid;HOPA beta-glucoside;hopantenic acid glucoside;Hopantenic acid glucoside;106083-70-9;Hopabeta-glucoside;4'-O-(beta-D-Glucopyranosyl)-D-hopantenic acid;DTXSID80147503
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CAS No:
4-[[(2R)-2-hydroxy-3,3-dimethyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoyl]amino]butanoic acid Basic Attributes
395.40 g/mol
395.17914612 g/mol
DTXSID80147503
Computed Properties
Molecular Weight:395.40
XLogP3:-2.3
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:10
Exact Mass:395.17914612
Monoisotopic Mass:395.17914612
Topological Polar Surface Area:186
Heavy Atom Count:27
Complexity:500
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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