4-[(3S,4R)-4-(4-sulfophenyl)hexan-3-yl]benzenesulfonic acid
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![4-[(3S,4R)-4-(4-sulfophenyl)hexan-3-yl]benzenesulfonic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/0981b2839224437b9887fdf712b35052.png "4-[(3S,4R)-4-(4-sulfophenyl)hexan-3-yl]benzenesulfonic acid")
4-[(3S,4R)-4-(4-sulfophenyl)hexan-3-yl]benzenesulfonic acid
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CAS No:
60252-39-3
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Formula:
C18H22O6S2
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Chemical Name:
4-[(3S,4R)-4-(4-sulfophenyl)hexan-3-yl]benzenesulfonic acid
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Synonyms:
dipotassium-meso-n,n-disulfo-3,4-diphenylhexane;sigetin;sigetin, dipotassium salt;sygethin free acid;UNII-Z2WJD37N4U;Z2WJD37N4U;Q27294921;Benzenesulfonic acid, 4,4'-(1,2-diethyl-1,2-ethanediyl)bis-;(R*,S*)-4,4'-(1,2-diethyl-1,2-ethanediyl)dibenzenesulfonic acid;Benzenesulfonic acid, 4,4'-(1,2-diethyl-1,2-ethanediyl)bis-, (R*,S*)-;60252-39-3
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CAS No:
4-[(3S,4R)-4-(4-sulfophenyl)hexan-3-yl]benzenesulfonic acid Basic Attributes
398.5 g/mol
398.08578076 g/mol
Z2WJD37N4U
Computed Properties
Molecular Weight:398.5
XLogP3:3.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:398.08578076
Monoisotopic Mass:398.08578076
Topological Polar Surface Area:126
Heavy Atom Count:26
Complexity:572
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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