DBCO-PEG2-acid

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DBCO-PEG2-acid

DBCO-PEG2-acid | CAS 2304558-25-4

Catalog Number R01-0435
Category Cycloalkyne Dyes (DBCO)
Molecular Formula C26H28N2O6
Molecular Weight 464.5
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Product Introduction

DBCO-PEG2-acid is an analog of DBCO-Acid with PEG linker and a DBCO group. The DBCO groups is commonly used for copper-free Click Chemistry reactions due to its strain promoted high energy. The hydrophilic PEG chain allows for increased water solubility. The terminal carboxylic acid can react with primary amine groups in the presence of activators (e.g. EDC, or HATU) to form a stable amide bond.

  • Chemical Information

  • Product Specification

  • Computed Properties

Synonyms 3-{2-[2-(4-{2-azatricyclo[10.4.0.0,hexadeca-1(12),4(9),5,7,13,15-hexaen-10-yn-2-yl}-4-oxobutanamido)ethoxy]ethoxy}propanoic acid
Purity 97%
IUPAC Name 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]propanoic acid
Canonical SMILES C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCC(=O)NCCOCCOCCC(=O)O
InChI InChI=1S/C26H28N2O6/c29-24(27-14-16-34-18-17-33-15-13-26(31)32)11-12-25(30)28-19-22-7-2-1-5-20(22)9-10-21-6-3-4-8-23(21)28/h1-8H,11-19H2,(H,27,29)(H,31,32)
InChIKey IZLCAESRDHFGLF-UHFFFAOYSA-N
Storage -20 °C
XLogP3 1.3
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 12
Exact Mass 464.19473662 g/mol
Monoisotopic Mass 464.19473662 g/mol
Topological Polar Surface Area 105Ų
Heavy Atom Count 34
Formal Charge 0
Complexity 757
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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