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DBCO-PEG2-NHS ester

CAT: 0013-GTR19233379-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19233379-01Size:10 mg
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Description
DBCO-PEG2-NHS ester is a copper-free click chemistry reagent for efficient bioconjugation. Its NHS ester targets primary amines on proteins or surfaces, while the hydrophilic PEG spacer improves solubility and reduces steric hindrance. This reagent is widely used for labeling antibodies, modifying nanoparticles, and constructing antibody-drug conjugates in both in vitro and in vivo research.
CAS Number
2585653-12-7
Field of Research
Metabolism Research
Smiles
C (CCC (NCCOCCOCCC (ON1C (=O) CCC1=O) =O) =O) (=O) N2C=3C (C#CC=4C (C2) =CC=CC4) =CC=CC3
Molecular Formula
C30H31N3O8
Molecular Weight
561.58
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

DBCO-PEG2-NHS ester
CAS Number2585653-12-7
PubChem CID156041345
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 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
Molecular FormulaC30H31N3O8
Molecular Weight561.6
XLogP0.7
Topological Polar Surface Area132
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count14
Heavy Atom Count41
Formal Charge0
Complexity1020
SMILES
C1CC(=O)N(C1=O)OC(=O)CCOCCOCCNC(=O)CCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42
InChI
InChI=1S/C30H31N3O8/c34-26(31-16-18-40-20-19-39-17-15-30(38)41-33-28(36)13-14-29(33)37)11-12-27(35)32-21-24-7-2-1-5-22(24)9-10-23-6-3-4-8-25(23)32/h1-8H,11-21H2,(H,31,34)
InChIKey
WEMCNVHTFXFLHG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of DBCO-PEG2-NHS ester
CAS: 2585653-12-7
CID: 156041345
Formula: C30H31N3O8
MW: 561.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight561.6
XLogP30.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count14
Exact Mass561.21111496
Monoisotopic Mass561.21111496
Topological Polar Surface Area132 Ų
Heavy Atom Count41
Formal Charge0
Complexity1020
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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