(1S,4R)-4-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclopent-2-ene-1-carbonitrile
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![(1S,4R)-4-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclopent-2-ene-1-carbonitrile structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/308d005eb0c14d5c8ee7f4fc717b3d03.png "(1S,4R)-4-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclopent-2-ene-1-carbonitrile")
(1S,4R)-4-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclopent-2-ene-1-carbonitrile
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CAS No:
109905-56-8
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Formula:
C12H17NO7
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Chemical Name:
(1S,4R)-4-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclopent-2-ene-1-carbonitrile
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Synonyms:
Epivolkenin;109905-56-8;Passicoriacin;DTXSID70911396;A804401;1-(hexopyranosyloxy)-4-hydroxycyclopent-2-ene-1-carbonitrile;2-Cyclopentene-1-carbonitrile, 1-(beta-D-glucopyranosyloxy)-4-hydroxy-, (1S-cis)-;(1S,4R)-1-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-cyclopent-2-ene-1-carbonitrile;(1S,4R)-4-hydroxy-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-cyclopent-2-enecarbonitrile
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CAS No:
(1S,4R)-4-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclopent-2-ene-1-carbonitrile Basic Attributes
287.27 g/mol
287.10050188 g/mol
Computed Properties
Molecular Weight:287.27
XLogP3:-2.3
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:3
Exact Mass:287.10050188
Monoisotopic Mass:287.10050188
Topological Polar Surface Area:143
Heavy Atom Count:20
Complexity:433
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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