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102088-39-1,MFCD00216907
Catalog No.:AA0006J2

102088-39-1 | 4-Sulfocalix[6]arene

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
>95.0%(HPLC)
in stock  
$150.00   $105.00
- +
1g
>95.0%(HPLC)
in stock  
$239.00   $168.00
- +
5g
>95.0%(HPLC)
in stock  
$898.00   $628.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA0006J2
Chemical Name:
4-Sulfocalix[6]arene
CAS Number:
102088-39-1
Molecular Formula:
C42H36O24S6
Molecular Weight:
1117.1108
MDL Number:
MFCD00216907
SMILES:
Oc1c2Cc3cc(cc(c3O)Cc3cc(cc(c3O)Cc3cc(cc(Cc4c(c(Cc5c(c(Cc1cc(c2)S(=O)(=O)O)cc(c5)S(=O)(=O)O)O)cc(c4)S(=O)(=O)O)O)c3O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O
Properties
Properties
 
Form:
Solid  
MP:
246℃ (dec.)  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
2060  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
72  
Hydrogen Bond Acceptor Count:
24  
Hydrogen Bond Donor Count:
12  
Isotope Atom Count:
0  
Rotatable Bond Count:
6  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.9  

Downstream Synthesis Route

[1]Tauran,Yannick;Brioude,Arnaud;Shahgaldian,Patrick;Cumbo,Alessandro;Kim,Beomjoon;Perret,Florent;Coleman,AnthonyW.;Montasser,Imed[ChemicalCommunications,2012,vol.48,#76,p.9483-9485]

[2]Shinkai,Seiji;Araki,Koji;Tsubaki,Takayuki;Arimura,Takashi;Manabe,Osamu[JournaloftheChemicalSociety.PerkintransactionsI,1987,p.2297-2300]

[3]Sayin,Serkan;Yilmaz,Mustafa[Tetrahedron,2014,vol.70,#37,p.6669-6676]

[4]Locationinpatent:experimentalpartFernandes,SergioAntonio;Natalino,Ricardo;Gazolla,PolianaAparecidaRodrigues;DaSilva,MárcioJosé;Jham,GulabNewandram[TetrahedronLetters,2012,vol.53,#13,p.1630-1633]

[5]DeAssis;Abranches;Braga;Zuñiga;Sathicq;Romanelli;Sato;Fernandes[RSCAdvances,2016,vol.6,#29,p.24285-24289]

[6]Palermo;Sathicq;Liberto;Fernandes;Langer;Jios;Romanelli[TetrahedronLetters,2016,vol.57,#19,p.2049-2054]

[7]Sayin,Serkan;Yilmaz,Mustafa[Tetrahedron,2016,vol.72,#41,p.6528-6535]

5875-06-9    102088-39-1   
C16H26N2O3*C42H36O24S6 

[1]MagneticResonanceinChemistry,2009,vol.47,p.757-763

85100-78-3    102088-39-1   
Br(1-)*C10H19N2(1+)*C42H36O24S6 

[1]ThermochimicaActa,2011,vol.523,p.227-231

85100-76-1    102088-39-1   
Br(1-)*C7H13N2(1+)*C42H36O24S6 

[1]Locationinpatent:experimentalpartWintgens,Veronique;Biczok,Laszlo;Miskolczy,Zsombor[ThermochimicaActa,2011,vol.523,#1-2,p.227-231]

102088-39-1    188589-32-4   
Br(1-)*C14H27N2(1+)*C42H36O24S6 

[1]ThermochimicaActa,2011,vol.523,p.227-231

Literature
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SDS
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Tags:102088-39-1 Molecular Formula|102088-39-1 MDL|102088-39-1 SMILES|102088-39-1 4-Sulfocalix[6]arene
Catalog No.: AA0006J2
102088-39-1,MFCD00216907
102088-39-1 | 4-Sulfocalix[6]arene
Pack Size： 250mg
Purity： >95.0%(HPLC)
in stock
$150.00 $105.00
Pack Size： 1g
Purity： >95.0%(HPLC)
in stock
$239.00 $168.00
Pack Size： 5g
Purity： >95.0%(HPLC)
in stock
$898.00 $628.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA0006J2
Chemical Name: 4-Sulfocalix[6]arene
CAS Number: 102088-39-1
Molecular Formula: C42H36O24S6
Molecular Weight: 1117.1108
MDL Number: MFCD00216907
SMILES: Oc1c2Cc3cc(cc(c3O)Cc3cc(cc(c3O)Cc3cc(cc(Cc4c(c(Cc5c(c(Cc1cc(c2)S(=O)(=O)O)cc(c5)S(=O)(=O)O)O)cc(c4)S(=O)(=O)O)O)c3O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O
Properties
Form: Solid  
MP: 246℃ (dec.)  
Storage: Keep in dry area;Room Temperature;  
Complexity: 2060  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 72  
Hydrogen Bond Acceptor Count: 24  
Hydrogen Bond Donor Count: 12  
Isotope Atom Count: 0  
Rotatable Bond Count: 6  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.9  
Downstream Synthesis Route
96107-95-8    102088-39-1 

[1]Tauran,Yannick;Brioude,Arnaud;Shahgaldian,Patrick;Cumbo,Alessandro;Kim,Beomjoon;Perret,Florent;Coleman,AnthonyW.;Montasser,Imed[ChemicalCommunications,2012,vol.48,#76,p.9483-9485]

[2]Shinkai,Seiji;Araki,Koji;Tsubaki,Takayuki;Arimura,Takashi;Manabe,Osamu[JournaloftheChemicalSociety.PerkintransactionsI,1987,p.2297-2300]

[3]Sayin,Serkan;Yilmaz,Mustafa[Tetrahedron,2014,vol.70,#37,p.6669-6676]

[4]Locationinpatent:experimentalpartFernandes,SergioAntonio;Natalino,Ricardo;Gazolla,PolianaAparecidaRodrigues;DaSilva,MárcioJosé;Jham,GulabNewandram[TetrahedronLetters,2012,vol.53,#13,p.1630-1633]

[5]DeAssis;Abranches;Braga;Zuñiga;Sathicq;Romanelli;Sato;Fernandes[RSCAdvances,2016,vol.6,#29,p.24285-24289]

[6]Palermo;Sathicq;Liberto;Fernandes;Langer;Jios;Romanelli[TetrahedronLetters,2016,vol.57,#19,p.2049-2054]

[7]Sayin,Serkan;Yilmaz,Mustafa[Tetrahedron,2016,vol.72,#41,p.6528-6535]

5875-06-9    102088-39-1   
C16H26N2O3*C42H36O24S6 

[1]MagneticResonanceinChemistry,2009,vol.47,p.757-763

85100-78-3    102088-39-1   
Br(1-)*C10H19N2(1+)*C42H36O24S6 

[1]ThermochimicaActa,2011,vol.523,p.227-231

85100-76-1    102088-39-1   
Br(1-)*C7H13N2(1+)*C42H36O24S6 

[1]Locationinpatent:experimentalpartWintgens,Veronique;Biczok,Laszlo;Miskolczy,Zsombor[ThermochimicaActa,2011,vol.523,#1-2,p.227-231]

102088-39-1    188589-32-4   
Br(1-)*C14H27N2(1+)*C42H36O24S6 

[1]ThermochimicaActa,2011,vol.523,p.227-231

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