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DBCO-PEG2-DBCO

CAT: 0013-GTR19233368-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19233368-01Size:50 mg
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Description
DBCO-PEG2-DBCO is a research-grade, water-soluble bivalent linker for strain-promoted click chemistry. Its copper-free reactivity and PEG spacer enable applications in bioconjugation, antibody-drug conjugate development, and the labeling of biomolecules for both in vitro assays and in vivo imaging studies.
CAS Number
2639395-48-3
Field of Research
Metabolism Research
Smiles
C (CCC (NCCOCCOCCNC (CCC (=O) N1C=2C (C#CC=3C (C1) =CC=CC3) =CC=CC2) =O) =O) (=O) N4C=5C (C#CC=6C (C4) =CC=CC6) =CC=CC5
Molecular Formula
C44H42N4O6
Molecular Weight
722.83
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Dbco-peg2-dbco
CAS Number2639395-48-3
PubChem CID155887591
IUPAC Name4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-N-[2-[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]ethyl]-4-oxobutanamide
Molecular FormulaC44H42N4O6
Molecular Weight722.8
XLogP3.6
Topological Polar Surface Area117
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count15
Heavy Atom Count54
Formal Charge0
Complexity1320
SMILES
C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)N4CC5=CC=CC=C5C#CC6=CC=CC=C64
InChI
InChI=1S/C44H42N4O6/c49-41(21-23-43(51)47-31-37-13-3-1-9-33(37)17-19-35-11-5-7-15-39(35)47)45-25-27-53-29-30-54-28-26-46-42(50)22-24-44(52)48-32-38-14-4-2-10-34(38)18-20-36-12-6-8-16-40(36)48/h1-16H,21-32H2,(H,45,49)(H,46,50)
InChIKey
GPRBYNSGOSAHPU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dbco-peg2-dbco
CAS: 2639395-48-3
CID: 155887591
Formula: C44H42N4O6
MW: 722.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight722.8
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count15
Exact Mass722.31043507
Monoisotopic Mass722.31043507
Topological Polar Surface Area117 Ų
Heavy Atom Count54
Formal Charge0
Complexity1320
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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