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22416-58-6,MFCD28064298
Catalog No.:AA00BE52

22416-58-6 | Xylotetrose

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5mg
≥98%
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$128.00   $89.00
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10mg
≥98%
in stock  
$216.00   $151.00
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25mg
≥98%
in stock  
$382.00   $267.00
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50mg
≥98%
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$572.00   $400.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00BE52
Chemical Name:
Xylotetrose
CAS Number:
22416-58-6
Molecular Formula:
C20H34O17
Molecular Weight:
546.4738
MDL Number:
MFCD28064298
SMILES:
O=C[C@@H]([C@H]([C@H](O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)CO)O)O
Properties
Computed Properties
 
Complexity:
714  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
15  
Heavy Atom Count:
37  
Hydrogen Bond Acceptor Count:
17  
Hydrogen Bond Donor Count:
10  
Rotatable Bond Count:
10  
XLogP3:
-7.4  

Downstream Synthesis Route

[1]Locationinpatent:experimentalpartHan,Yejun;Chen,Hongzhang[JournalofMolecularCatalysisB:Enzymatic,2010,vol.63,#3-4,p.135-140]

[2]Yuan,Ye;Hu,Yanbo;Zhang,Han;Leng,Jiayi;Li,Fan;Zhao,Xuesong;Gao,Juan;Zhou,Yifa[JournalofMolecularCatalysisB:Enzymatic,2016,vol.131,p.65-72]

[3]Terrasan,CésarRafaelFanchini;Aragon,CaioCasale;Masui,DouglasChodi;Pessela,BenevidesCosta;Fernandez-Lorente,Gloria;Carmona,EleonoraCano;Guisan,JoseManuel[BiocatalysisandBiotransformation,2016,vol.34,#4,p.161-171]

[4]Terrasan,CésarRafaelFanchini;Aragon,CaioCasale;Masui,DouglasChodi;Pessela,BenevidesCosta;Fernandez-Lorente,Gloria;Carmona,EleonoraCano;Guisan,JoseManuel[BiocatalysisandBiotransformation,2016,vol.34,#4,p.161-171]

[5]Terrasan,CésarRafaelFanchini;Aragon,CaioCasale;Masui,DouglasChodi;Pessela,BenevidesCosta;Fernandez-Lorente,Gloria;Carmona,EleonoraCano;Guisan,JoseManuel[BiocatalysisandBiotransformation,2016,vol.34,#4,p.161-171]

[6]Terrasan,CésarRafaelFanchini;Aragon,CaioCasale;Masui,DouglasChodi;Pessela,BenevidesCosta;Fernandez-Lorente,Gloria;Carmona,EleonoraCano;Guisan,JoseManuel[BiocatalysisandBiotransformation,2016,vol.34,#4,p.161-171]

[7]Terrasan,CésarRafaelFanchini;Aragon,CaioCasale;Masui,DouglasChodi;Pessela,BenevidesCosta;Fernandez-Lorente,Gloria;Carmona,EleonoraCano;Guisan,JoseManuel[BiocatalysisandBiotransformation,2016,vol.34,#4,p.161-171]

Literature

Title: Kamble RD, et al. Isolation, purification, and characterization of xylanase produced by a new species of bacillus in solid state fermentation. Int J Microbiol. 2012;2012:683193.

Title: Martinez-Abad A, et al. Regular Motifs in Xylan Modulate Molecular Flexibility and Interactions with Cellulose Surfaces. Plant Physiol. 2017 Oct 25. pii: pp.01184.2017.

Title: Laitinen T, et al. MM-PBSA free energy analysis of endo-1,4-xylanase II (XynII)-substrate complexes: binding of the reactive sugar in a skew boat and chair conformation. Org Biomol Chem. 2003 Oct 21;1(20):3535-40.

Title: Cervera Tison M, et al. Molecular determinants of substrate and inhibitor specificities of the Penicillium griseofulvum family 11 xylanases. Biochim Biophys Acta. 2009 Mar;1794(3):438-45.

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SDS
Tags:22416-58-6 Molecular Formula|22416-58-6 MDL|22416-58-6 SMILES|22416-58-6 Xylotetrose