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Structure

[s-(r*,r*)]-Bis[[2-hydroxy-1-(hydroxymethyl)-2-[p-(methylsulphonyl)phenyl]ethyl]ammonium]sulphate

CAS
93839-92-0
Catalog Number
ACM93839920
Category
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What is the molecular formula of [s-(r*,r*)]-Bis[[2-hydroxy-1-(hydroxymethyl)-2-[p-(methylsulphonyl)phenyl]ethyl]ammonium]sulphate?

The molecular formula is C20H32N2O12S3.

What is the molecular weight of [s-(r*,r*)]-Bis[[2-hydroxy-1-(hydroxymethyl)-2-[p-(methylsulphonyl)phenyl]ethyl]ammonium]sulphate?

The molecular weight is 588.7 g/mol.

What are the synonyms for [s-(r*,r*)]-Bis[[2-hydroxy-1-(hydroxymethyl)-2-[p-(methylsulphonyl)phenyl]ethyl]ammonium]sulphate?

The synonyms are EINECS 298-865-4 and 93839-92-0.

What is the IUPAC name of [s-(r*,r*)]-Bis[[2-hydroxy-1-(hydroxymethyl)-2-[p-(methylsulphonyl)phenyl]ethyl]ammonium]sulphate?

The IUPAC name is [(1S)-1,3-dihydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]azanium;sulfate.

What is the InChI code for [s-(r*,r*)]-Bis[[2-hydroxy-1-(hydroxymethyl)-2-[p-(methylsulphonyl)phenyl]ethyl]ammonium]sulphate?

The InChI code is InChI=1S/2C10H15NO4S.H2O4S.

What is the InChIKey for [s-(r*,r*)]-Bis[[2-hydroxy-1-(hydroxymethyl)-2-[p-(methylsulphonyl)phenyl]ethyl]ammonium]sulphate?

The InChIKey is JHOPAAUVEUYURN-VUCLGOSDSA-N.

How many hydrogen bond donor counts does [s-(r*,r*)]-Bis[[2-hydroxy-1-(hydroxymethyl)-2-[p-(methylsulphonyl)phenyl]ethyl]ammonium]sulphate have?

It has 6 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does [s-(r*,r*)]-Bis[[2-hydroxy-1-(hydroxymethyl)-2-[p-(methylsulphonyl)phenyl]ethyl]ammonium]sulphate have?

It has 12 hydrogen bond acceptor counts.

What is the topological polar surface area of [s-(r*,r*)]-Bis[[2-hydroxy-1-(hydroxymethyl)-2-[p-(methylsulphonyl)phenyl]ethyl]ammonium]sulphate?

The topological polar surface area is 310?2.

How many rotatable bond counts does [s-(r*,r*)]-Bis[[2-hydroxy-1-(hydroxymethyl)-2-[p-(methylsulphonyl)phenyl]ethyl]ammonium]sulphate have?

It has 8 rotatable bond counts.

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