Name: Name:Tos-peg5-ch2co2t-butyl ester
Brand: AABLOCKS
SKU: AA019DWX
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA019DWX

Chemical Name: Tos-peg5-ch2co2t-butyl ester

CAS Number: 169751-73-9

Molecular Formula: C21H34O9S

Molecular Weight: 462.5543

MDL Number: MFCD27977499

SMILES: O=C(OC(C)(C)C)COCCOCCOCCOCCOS(=O)(=O)c1ccc(cc1)C

Properties

Complexity: 573

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 31

Hydrogen Bond Acceptor Count: 9

Hydrogen Bond Donor Count: 0

Isotope Atom Count: 0

Rotatable Bond Count: 18

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 1.9

Downstream Synthesis Route

169751-73-9

10387-40-3

169751-74-0

[1]Westerduin,Pieter;Basten,JanE.M.;Broekhoven,MarcA.;Kimpe,Verade;Kuijpers,WillH.A.;Boeckel,ConstantA.A.[AngewandteChemie,1996,vol.108,#3,p.339-342]

98-59-9

169751-72-8

169751-73-9

[1]Patent:WO2017/46036,2017,A1.Locationinpatent:Page/Pagecolumn54

[2]AngewandteChemie,1996,vol.108,p.339-342

[3]JournalofMedicinalChemistry,2018,vol.61,p.583-598

169751-73-9

474960-31-1

908859-46-1

[1]CurrentPatentAssignee:UNIVERSITYOFMASSACHUSETTS-US2007/293669,2007,A1Locationinpatent:Page/Pagecolumn30-31

112-60-7

169751-73-9

[1]Westerduin,Pieter;Basten,JanE.M.;Broekhoven,MarcA.;Kimpe,Verade;Kuijpers,WillH.A.;Boeckel,ConstantA.A.[AngewandteChemie,1996,vol.108,#3,p.339-342]

5292-43-3

169751-73-9

[1]Westerduin,Pieter;Basten,JanE.M.;Broekhoven,MarcA.;Kimpe,Verade;Kuijpers,WillH.A.;Boeckel,ConstantA.A.[AngewandteChemie,1996,vol.108,#3,p.339-342]

[2]Crew,AndrewP.;Raina,Kanak;Dong,Hanqing;Qian,Yimin;Wang,Jing;Vigil,Dominico;Serebrenik,YevgeniyV.;Hamman,BrianD.;Morgan,Alicia;Ferraro,Caterina;Siu,Kam;Neklesa,TaaviK.;Winkler,JamesD.;Coleman,KevinG.;Crews,CraigM.[JournalofMedicinalChemistry,2018,vol.61,#2,p.583-598]

[3]CurrentPatentAssignee:CHINESEACADEMYOFSCIENCES-WO2021/254254,2021,A1

169751-73-9 | Tos-peg5-ch2co2t-butyl ester