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129575-89-9,MFCD08276391
Catalog No.:AA000Z61

129575-89-9 | 2-((2S,3R,4R,5S,6R)-4-(Benzyloxy)-6-((benzyloxy)methyl)-5-hydroxy-2-(4-methoxyphenoxy)tetrahydro-2H-pyran-3-yl)isoindoline-1,3-dione

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$139.00   $97.00
- +
1g
>95.0%(HPLC)
in stock  
$159.00   $112.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA000Z61
Chemical Name:
2-((2S,3R,4R,5S,6R)-4-(Benzyloxy)-6-((benzyloxy)methyl)-5-hydroxy-2-(4-methoxyphenoxy)tetrahydro-2H-pyran-3-yl)isoindoline-1,3-dione
CAS Number:
129575-89-9
Molecular Formula:
C35H33NO8
Molecular Weight:
595.6384
MDL Number:
MFCD08276391
SMILES:
COc1ccc(cc1)O[C@@H]1O[C@H](COCc2ccccc2)[C@H]([C@@H]([C@H]1N1C(=O)c2c(C1=O)cccc2)OCc1ccccc1)O
Properties
Properties
 
Storage:
-20 ℃;  

Computed Properties
 
Complexity:
904  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
44  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
11  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
4.6  

Downstream Synthesis Route

[1]Li,Wei;Gao,Yu;Li,Qing;Li,Zhong-Jun[OrganicandBiomolecularChemistry,2018,vol.16,#25,p.4720-4727]

[2]Nakano,Takahisa;Ito,Yukishige;Ogawa,Tomoya[TetrahedronLetters,1990,vol.31,#11,p.1597-1600]

[3]Nakano;Ito;Ogawa[CarbohydrateResearch,1993,vol.243,#1,p.43-69]

[4]Gagarinov,IvanA.;Li,Tiehai;Toraño,JavierSastre;Caval,Tomislav;Srivastava,ApoorvaD.;Kruijtzer,JohnA.W.;Heck,AlbertJ.R.;Boons,Geert-Jan[JournaloftheAmericanChemicalSociety,2017,vol.139,#2,p.1011-1018]

[1]Nakano;Ito;Ogawa[CarbohydrateResearch,1993,vol.243,#1,p.43-69]

[2]Nakano,Takahisa;Ito,Yukishige;Ogawa,Tomoya[TetrahedronLetters,1990,vol.31,#11,p.1597-1600]

[3]CurrentPatentAssignee:GLYCOFORMLIMITED-US2009/176970,2009,A1Locationinpatent:Page/Pagecolumn5;20

[4]Gagarinov,IvanA.;Li,Tiehai;Toraño,JavierSastre;Caval,Tomislav;Srivastava,ApoorvaD.;Kruijtzer,JohnA.W.;Heck,AlbertJ.R.;Boons,Geert-Jan[JournaloftheAmericanChemicalSociety,2017,vol.139,#2,p.1011-1018]

[5]Li,Wei;Gao,Yu;Li,Qing;Li,Zhong-Jun[OrganicandBiomolecularChemistry,2018,vol.16,#25,p.4720-4727]

Literature
Quotation Request
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SDS
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Tags:129575-89-9 Molecular Formula|129575-89-9 MDL|129575-89-9 SMILES|129575-89-9 2-((2S,3R,4R,5S,6R)-4-(Benzyloxy)-6-((benzyloxy)methyl)-5-hydroxy-2-(4-methoxyphenoxy)tetrahydro-2H-pyran-3-yl)isoindoline-1,3-dione
Catalog No.: AA000Z61
129575-89-9,MFCD08276391
129575-89-9 | 2-((2S,3R,4R,5S,6R)-4-(Benzyloxy)-6-((benzyloxy)methyl)-5-hydroxy-2-(4-methoxyphenoxy)tetrahydro-2H-pyran-3-yl)isoindoline-1,3-dione
Pack Size： 250mg
Purity： 95%
in stock
$139.00 $97.00
Pack Size： 1g
Purity： >95.0%(HPLC)
in stock
$159.00 $112.00
Quantity
- +
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Technical Information
Catalog Number: AA000Z61
Chemical Name: 2-((2S,3R,4R,5S,6R)-4-(Benzyloxy)-6-((benzyloxy)methyl)-5-hydroxy-2-(4-methoxyphenoxy)tetrahydro-2H-pyran-3-yl)isoindoline-1,3-dione
CAS Number: 129575-89-9
Molecular Formula: C35H33NO8
Molecular Weight: 595.6384
MDL Number: MFCD08276391
SMILES: COc1ccc(cc1)O[C@@H]1O[C@H](COCc2ccccc2)[C@H]([C@@H]([C@H]1N1C(=O)c2c(C1=O)cccc2)OCc1ccccc1)O
Properties
Storage: -20 ℃;  
Complexity: 904  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 5  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 44  
Hydrogen Bond Acceptor Count: 8  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 11  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 4.6  
Downstream Synthesis Route
129575-88-8    129575-89-9 

[1]Li,Wei;Gao,Yu;Li,Qing;Li,Zhong-Jun[OrganicandBiomolecularChemistry,2018,vol.16,#25,p.4720-4727]

[2]Nakano,Takahisa;Ito,Yukishige;Ogawa,Tomoya[TetrahedronLetters,1990,vol.31,#11,p.1597-1600]

[3]Nakano;Ito;Ogawa[CarbohydrateResearch,1993,vol.243,#1,p.43-69]

[4]Gagarinov,IvanA.;Li,Tiehai;Toraño,JavierSastre;Caval,Tomislav;Srivastava,ApoorvaD.;Kruijtzer,JohnA.W.;Heck,AlbertJ.R.;Boons,Geert-Jan[JournaloftheAmericanChemicalSociety,2017,vol.139,#2,p.1011-1018]

138906-43-1    129575-89-9 

[1]Nakano;Ito;Ogawa[CarbohydrateResearch,1993,vol.243,#1,p.43-69]

[2]Nakano,Takahisa;Ito,Yukishige;Ogawa,Tomoya[TetrahedronLetters,1990,vol.31,#11,p.1597-1600]

[3]CurrentPatentAssignee:GLYCOFORMLIMITED-US2009/176970,2009,A1Locationinpatent:Page/Pagecolumn5;20

[4]Gagarinov,IvanA.;Li,Tiehai;Toraño,JavierSastre;Caval,Tomislav;Srivastava,ApoorvaD.;Kruijtzer,JohnA.W.;Heck,AlbertJ.R.;Boons,Geert-Jan[JournaloftheAmericanChemicalSociety,2017,vol.139,#2,p.1011-1018]

[5]Li,Wei;Gao,Yu;Li,Qing;Li,Zhong-Jun[OrganicandBiomolecularChemistry,2018,vol.16,#25,p.4720-4727]

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