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DBCO-PEG3-NHS ester

CAT: 1410-M33546-01Size: 1 EachDry Ice: NoHazardous: No
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Description
DBCO-PEG3-NHS ester is a degradable ADC linker that can be used to synthesize antibody-coupled active molecules.
CAS Number
2163772-16-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
605.64
Molecular Formula
C32H35N3O9
Notes
Research use only, not for human use.
Receptor
ADC Linker

Chemical Information

DBCO-PEG3-NHS ester
CAS Number2163772-16-3
PubChem CID162497732
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-[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]ethoxy]propanoate
Molecular FormulaC32H35N3O9
Molecular Weight605.6
XLogP0.6
Topological Polar Surface Area141
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count17
Heavy Atom Count44
Formal Charge0
Complexity1070
SMILES
C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCNC(=O)CCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42
InChI
InChI=1S/C32H35N3O9/c36-28(11-12-29(37)34-23-26-7-2-1-5-24(26)9-10-25-6-3-4-8-27(25)34)33-16-18-42-20-22-43-21-19-41-17-15-32(40)44-35-30(38)13-14-31(35)39/h1-8H,11-23H2,(H,33,36)
InChIKey
BJADYBKWDBVKHO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of DBCO-PEG3-NHS ester
CAS: 2163772-16-3
CID: 162497732
Formula: C32H35N3O9
MW: 605.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight605.6
XLogP30.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count17
Exact Mass605.23732970
Monoisotopic Mass605.23732970
Topological Polar Surface Area141 Ų
Heavy Atom Count44
Formal Charge0
Complexity1070
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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