4-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxycyclopent-2-ene-1-carbonitrile
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![4-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxycyclopent-2-ene-1-carbonitrile structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/5f95c6d8089c4ed8915b2d6dbeddd629.png "4-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxycyclopent-2-ene-1-carbonitrile")
4-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxycyclopent-2-ene-1-carbonitrile
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CAS No:
97564-59-5
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Formula:
C18H27NO11
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Chemical Name:
4-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxycyclopent-2-ene-1-carbonitrile
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Synonyms:
Epipassibiflorin;97564-59-5;DTXSID10913819;1-{[6-O-(6-Deoxyhexopyranosyl)hexopyranosyl]oxy}-4-hydroxycyclopent-2-ene-1-carbonitrile;2-Cyclopentene-1-carbonitrile, 1-((6-O-(6-deoxy-beta-D-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-4-hydroxy-
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CAS No:
4-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxycyclopent-2-ene-1-carbonitrile Basic Attributes
433.4 g/mol
433.15841068 g/mol
Computed Properties
Molecular Weight:433.4
XLogP3:-4
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:5
Exact Mass:433.15841068
Monoisotopic Mass:433.15841068
Topological Polar Surface Area:202
Heavy Atom Count:30
Complexity:682
Defined Atom Stereocenter Count:10
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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