4-heptyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
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![4-heptyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/a3fcc54faf34433eb8a261f5febe6567.png "4-heptyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one")
4-heptyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
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CAS No:
100443-43-4
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Formula:
C22H30O8
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Chemical Name:
4-heptyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
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Synonyms:
4-heptylumbelliferyl-beta-glucoside;C7-UGlc;4-Heptylumbelliferyl-beta-glucoside;100443-43-4;C7-Uglc;SCHEMBL3022467;DTXSID30143272;7-(beta-D-glucopyranosyloxy)-4-heptyl-2H-1-benzopyran-2-one;2H-1-Benzopyran-2-one, 7-(beta-D-glucopyranosyloxy)-4-heptyl-
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CAS No:
4-heptyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one Basic Attributes
422.5 g/mol
422.19406791 g/mol
DTXSID30143272
Computed Properties
Molecular Weight:422.5
XLogP3:2.4
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:9
Exact Mass:422.19406791
Monoisotopic Mass:422.19406791
Topological Polar Surface Area:126
Heavy Atom Count:30
Complexity:594
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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