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3-[(2S,4S,5S)-5-chloro-2,4-dimethylhexanoyl]-4-hydroxy-5,6-dimethoxy-1H-pyridin-2-one
3-[(2S,4S,5S)-5-chloro-2,4-dimethylhexanoyl]-4-hydroxy-5,6-dimethoxy-1H-pyridin-2-one
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![3-[(2S,4S,5S)-5-chloro-2,4-dimethylhexanoyl]-4-hydroxy-5,6-dimethoxy-1H-pyridin-2-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/3f10d578f4cc488eace373915cdfccfd.png "3-[(2S,4S,5S)-5-chloro-2,4-dimethylhexanoyl]-4-hydroxy-5,6-dimethoxy-1H-pyridin-2-one")
3-[(2S,4S,5S)-5-chloro-2,4-dimethylhexanoyl]-4-hydroxy-5,6-dimethoxy-1H-pyridin-2-one
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CAS No:
119509-25-0
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Formula:
C15H22ClNO5
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Chemical Name:
3-[(2S,4S,5S)-5-chloro-2,4-dimethylhexanoyl]-4-hydroxy-5,6-dimethoxy-1H-pyridin-2-one
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Synonyms:
Atpenin A4; 3-[(2S,4S,5S)-5-chloro-2,4-dimethylhexanoyl]-2-hydroxy-5,6-dimethoxy-1H-pyridin-4-one;
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CAS No:
3-[(2S,4S,5S)-5-chloro-2,4-dimethylhexanoyl]-4-hydroxy-5,6-dimethoxy-1H-pyridin-2-one Basic Attributes
331.79200
331.1186505
DTXSID20152479
Computed Properties
Molecular Weight:331.79
XLogP3:2.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:331.1186505
Monoisotopic Mass:331.1186505
Topological Polar Surface Area:84.9
Heavy Atom Count:22
Complexity:526
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of 3-[(2S,4S,5S)-5-chloro-2,4-dimethylhexanoyl]-4-hydroxy-5,6-dimethoxy-1H-pyridin-2-one
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