DBCO-PEG2-PFP ester

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DBCO-PEG2-PFP ester

DBCO-PEG2-PFP ester | 2304558-23-2

Catalog Number R01-0420
Category Cycloalkyne Dyes (DBCO)
Molecular Formula C32H27F5N2O6
Molecular Weight 630.6
Catalog Number Size Price Quantity
R01-0420 -- $--

Product Introduction

DBCO-PEG2-PFP ester is a PEG active ester consisting of a DBCO group which can react with azides under copper free conditions. The PFP ester is an active ester which can react with amine groups. PFP esters have been are stable compounds and are less susceptible to undergo hydrolysis.

Chemical Information

Synonyms (2,3,4,5,6-pentafluorophenyl) 3-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]propanoate
Purity 98%
IUPAC Name (2,3,4,5,6-pentafluorophenyl) 3-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]propanoate
Canonical SMILES C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCC(=O)NCCOCCOCCC(=O)OC4=C(C(=C(C(=C4F)F)F)F)F
InChI InChI=1S/C32H27F5N2O6/c33-27-28(34)30(36)32(31(37)29(27)35)45-26(42)13-15-43-17-18-44-16-14-38-24(40)11-12-25(41)39-19-22-7-2-1-5-20(22)9-10-21-6-3-4-8-23(21)39/h1-8H,11-19H2,(H,38,40)
InChI Key QONGBRUOEUCRRJ-UHFFFAOYSA-N
  • Product Specification
Storage -20 °C

Computed Properties

XLogP3 3.6
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 11
Rotatable Bond Count 14
Exact Mass 630.17892740 g/mol
Monoisotopic Mass 630.17892740 g/mol
Topological Polar Surface Area 94.2Ų
Heavy Atom Count 45
Formal Charge 0
Complexity 1060
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
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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