bis[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl] (2R)-2-hydroxy-2-(2-methylpropyl)butanedioate
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![bis[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl] (2R)-2-hydroxy-2-(2-methylpropyl)butanedioate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/1af9699bb83948e1915359626cfbfd86.png "bis[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl] (2R)-2-hydroxy-2-(2-methylpropyl)butanedioate")
bis[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl] (2R)-2-hydroxy-2-(2-methylpropyl)butanedioate
structure -
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CAS No:
58139-23-4
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Formula:
C34H46O17
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Chemical Name:
bis[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl] (2R)-2-hydroxy-2-(2-methylpropyl)butanedioate
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Synonyms:
bis(4-(glucopyranosyloxy)benzyl) 2-sec-butylmalate;militarin;Militarine;Militarin;58139-23-4;bis[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl] (2R)-2-hydroxy-2-(2-methylpropyl)butanedioate;Bis(4-(glucopyranosyloxy)benzyl) 2-sec-butylmalate;CHEMBL3902831;DTXSID50973710;ZB1860;ZINC85645021;HY-122308;CS-0083546;Bis{[4-(hexopyranosyloxy)phenyl]methyl} 2-hydroxy-2-(2-methylpropyl)butanedioate;(R)-bis(4-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)benzyl) 2-hydroxy-2-isobutylsuccinate;beta-D-Glucopyranoside, (2-hydroxy-2-(2-methylpropyl)-1,4-dioxo-1,4-butanediyl)bis(oxymethylene-4,1-phenylene)bis-, (R)-;NCGC00385416-01!bis[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl] (2R)-2-hydroxy-2-(2-methylpropyl)butanedioate
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CAS No:
bis[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl] (2R)-2-hydroxy-2-(2-methylpropyl)butanedioate Basic Attributes
726.7 g/mol
726.27349999 g/mol
Computed Properties
Molecular Weight:726.7
XLogP3:-0.5
Hydrogen Bond Donor Count:9
Hydrogen Bond Acceptor Count:17
Rotatable Bond Count:17
Exact Mass:726.27349999
Monoisotopic Mass:726.27349999
Topological Polar Surface Area:272
Heavy Atom Count:51
Complexity:1080
Defined Atom Stereocenter Count:11
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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