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Ald-Ph-amido-PEG2-C2-Pfp ester

CAT: 0931-T17381-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T17381-01Size:100 mg
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CAS Number
2101206-60-2
Target
ADC Linker
Related Pathways
Antibody-drug Conjugate/ADC Related
Bioactivity
Ald-Ph-amido-PEG2-C2-Pfp ester is a non-cleavable 2-unit PEG linker used in antibody-drug conjugation (ADC) to link antibodies and drugs.
Smiles
O=CC1=CC=C(C=C1)C(=O)NCCOCCOCCC(=O)OC=2C(F)=C(F)C(F)=C(F)C2F
Molecular Formula
C21H18F5NO6
Molecular Weight
475.36
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ald-Ph-amido-PEG2-C2-Pfp ester
CAS Number2101206-60-2
PubChem CID129896970
IUPAC Name(2,3,4,5,6-pentafluorophenyl) 3-[2-[2-[(4-formylbenzoyl)amino]ethoxy]ethoxy]propanoate
Molecular FormulaC21H18F5NO6
Molecular Weight475.4
XLogP2.2
Topological Polar Surface Area90.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count13
Heavy Atom Count33
Formal Charge0
Complexity620
SMILES
C1=CC(=CC=C1C=O)C(=O)NCCOCCOCCC(=O)OC2=C(C(=C(C(=C2F)F)F)F)F
InChI
InChI=1S/C21H18F5NO6/c22-15-16(23)18(25)20(19(26)17(15)24)33-14(29)5-7-31-9-10-32-8-6-27-21(30)13-3-1-12(11-28)2-4-13/h1-4,11H,5-10H2,(H,27,30)
InChIKey
TZCKVEZMOMYKNG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ald-Ph-amido-PEG2-C2-Pfp ester
CAS: 2101206-60-2
CID: 129896970
Formula: C21H18F5NO6
MW: 475.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight475.4
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count13
Exact Mass475.10542810
Monoisotopic Mass475.10542810
Topological Polar Surface Area90.9 Ų
Heavy Atom Count33
Formal Charge0
Complexity620
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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Alternative Products

CatalogName
HY-130103-01Ald-Ph-amido-PEG2-C2-Pfp ester
MBS5770260Ald-Ph-amido-PEG3-C2-Pfp ester
GTR19226034-01Ald-Ph-amido-PEG1-C2-Pfp ester
MBS5768348Ald-Ph-amido-PEG2-C2-NHS ester
MBS133211Ald-Ph-amido-PEG1-C2-NHS ester
HY-130101-01Ald-Ph-amido-PEG4-C2-NHS ester
HY-130094NHPI-PEG2-C2-Pfp ester
HY-130488-01Hydroxy-PEG2-C2-PFP ester
MBS5769641N3-PEG2-C2-PFP ester
HY-133573Cyclooctyne-O-amido-PEG2-PFP ester

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