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bis-PEG4-endo-BCN

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bis-PEG4-endo-BCN

bis-PEG4-endo-BCN

Catalog Number R16-0005
Category BCN
Molecular Formula C32H48N2O8
Molecular Weight 588.7
Catalog Number Size Price Quantity
R16-0005 -- $--

Product Introduction

bis-PEG4-endo-BCN is a homobifunctional click chemistry linker, PEG increase its aqueous solubility. The BCN group enable copper free click chemitry with azide-tagged molecules.

Chemical Information

Purity 95%
IUPAC Name [(1R,8S)-9-bicyclo[6.1.0]non-4-ynyl]methyl N-[2-[2-[2-[2-[2-[[(1R,8S)-9-bicyclo[6.1.0]non-4-ynyl]methoxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
Canonical SMILES C1CC2C(C2COC(=O)NCCOCCOCCOCCOCCNC(=O)OCC3C4C3CCC#CCC4)CCC#C1
InChI InChI=1S/C32H48N2O8/c35-31(41-23-29-25-9-5-1-2-6-10-26(25)29)33-13-15-37-17-19-39-21-22-40-20-18-38-16-14-34-32(36)42-24-30-27-11-7-3-4-8-12-28(27)30/h25-30H,5-24H2,(H,33,35)(H,34,36)/t25-,26+,27-,28+,29?,30?
InChI Key LPGIRCUGQRDRKM-QHNOGPKKSA-N
Solubility DMSO, DCM, DMF
  • Product Specification
Storage -20 °C

Computed Properties

XLogP3 3.8
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 21
Exact Mass 588.34106649 g/mol
Monoisotopic Mass 588.34106649 g/mol
Topological Polar Surface Area 114Ų
Heavy Atom Count 42
Formal Charge 0
Complexity 864
Isotope Atom Count 0
Defined Atom Stereocenter Count 4
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes
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