1,1′-(1S)-[1,1′-Binaphthalene]-2,2′-diyl bis(4-methylbenzenesulfonate)

C₃₄H₂₆O₆S₂CAS 128544-06-9594.70 g/mol

Open in Covalent MOL file

Sulfonate ester

Properties

Molecular formula: C₃₄H₂₆O₆S₂
Molar mass: 594.70 g/mol
Exact mass: 594.1171 Da
logP: 7.81Crippen estimate
Polar surface area: 86.7 Å²
H-bond donors / acceptors: 0 / 6
Rotatable bonds: 7

Identifiers

CAS number

128544-06-9

SMILES

Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2-c2c(OS(=O)(=O)c3ccc(C)cc3)ccc3ccccc23)cc1

InChIKey

BKYJBVWKVKRIDN-UHFFFAOYSA-N

InChI

InChI=1S/C34H26O6S2/c1-23-11-17-27(18-12-23)41(35,36)39-31-21-15-25-7-3-5-9-29(25)33(31)34-30-10-6-4-8-26(30)16-22-32(34)40-42(37,38)28-19-13-24(2)14-20-28/h3-22H,1-2H3

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Names and synonyms

2 names

[1,1′-Binaphthalene]-2,2′-diol, 2,2′-bis(4-methylbenzenesulfonate), (1S)-
[1,1′-Binaphthalene]-2,2′-diol, bis(4-methylbenzenesulfonate), (S)-

Work with 1,1′-(1S)-[1,1′-Binaphthalene]-2,2′-diyl bis(4-methylbenzenesulfonate)

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(R)-2,2′-Bis(trifluoromethanesulfonyloxy)-1,1′-binaphthyl126613-06-749 % similar (S)-Binol bis(triflate)128544-05-849 % similar 2,2′-Bis(trifluoromethanesulfonyloxy)-1,1′-binaphthyl128575-34-849 % similar P-Toluenesulfonic anhydride4124-41-847 % similar Methyl P-toluenesulfonate80-48-845 % similar Ethylene glycol ditosylate6315-52-244 % similar (S)-(-)-2,2'-Bis(di-P-tolylphosphino)-1,1'-binaphthyl100165-88-642 % similar 1,3-Propanediol ditosylate5469-66-942 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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