3-Amino-2,3,6-trideoxy-6-[[(1S)-1-[(3S)-3,4-dihydro-8-hydroxy-1-oxo-1H-2-benzopyran-3-yl]-3-methylbutyl]amino]-6-oxo-D-ribo-hexonic acid
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![3-Amino-2,3,6-trideoxy-6-[[(1S)-1-[(3S)-3,4-dihydro-8-hydroxy-1-oxo-1H-2-benzopyran-3-yl]-3-methylbutyl]amino]-6-oxo-D-ribo-hexonic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/f795f0a1292f4089b38d4d8c6f9cb921.png "3-Amino-2,3,6-trideoxy-6-[[(1S)-1-[(3S)-3,4-dihydro-8-hydroxy-1-oxo-1H-2-benzopyran-3-yl]-3-methylbutyl]amino]-6-oxo-D-ribo-hexonic acid")
3-Amino-2,3,6-trideoxy-6-[[(1S)-1-[(3S)-3,4-dihydro-8-hydroxy-1-oxo-1H-2-benzopyran-3-yl]-3-methylbutyl]amino]-6-oxo-D-ribo-hexonic acid
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CAS No:
77674-99-8
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Formula:
C20H28N2O8
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Chemical Name:
3-Amino-2,3,6-trideoxy-6-[[(1S)-1-[(3S)-3,4-dihydro-8-hydroxy-1-oxo-1H-2-benzopyran-3-yl]-3-methylbutyl]amino]-6-oxo-D-ribo-hexonic acid
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Synonyms:
D-ribo-Hexonic acid,3-amino-2,3,6-trideoxy-6-[[(1S)-1-[(3S)-3,4-dihydro-8-hydroxy-1-oxo-1H-2-benzopyran-3-yl]-3-methylbutyl]amino]-6-oxo-;D-ribo-Hexar-6-amic acid,3-amino-2,3-dideoxy-N-[1-(3,4-dihydro-8-hydroxy-1-oxo-1H-2-benzopyran-3-yl)-3-methylbutyl]-,[S-(R*,R*)]-;3-Amino-2,3,6-trideoxy-6-[[(1S)-1-[(3S)-3,4-dihydro-8-hydroxy-1-oxo-1H-2-benzopyran-3-yl]-3-methylbutyl]amino]-6-oxo-D-ribo-hexonic acid;AI 77B;Amicoumacin B;82768-33-0
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CAS No:
3-Amino-2,3,6-trideoxy-6-[[(1S)-1-[(3S)-3,4-dihydro-8-hydroxy-1-oxo-1H-2-benzopyran-3-yl]-3-methylbutyl]amino]-6-oxo-D-ribo-hexonic acid Basic Attributes
424.4 g/mol
424.44
Drug Information
6-((1-(3,4-dihydro-8-hydroxy-1-oxo-1H-2-benzopyran-3-yl)-3-methylbutyl)amino)-4,5-dihydroxy-6-oxo-3-ammoniohexanoate
Computed Properties
Molecular Weight:424.4
XLogP3:-1.8
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:9
Exact Mass:424.18456586
Monoisotopic Mass:424.18456586
Topological Polar Surface Area:179
Heavy Atom Count:30
Complexity:628
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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