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Me-Tet-PEG9-COOH

CAT: 0013-GTR19234388-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19234388-01Size:25 mg
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Description
This ADC linker contains a Tetrazine group for rapid, bioorthogonal iEDDA conjugation with TCO groups. Its PEG9 spacer enhances solubility and is used in vitro and in vivo for constructing antibody-drug conjugates (ADCs) and targeted probes.
CAS Number
2143964-70-7
Smiles
C (NC (CCOCCOCCOCCOCCOCCOCCOCCOCCOCCC (O) =O) =O) C1=CC=C (C=C1) C=2N=NC (C) =NN2
Molecular Formula
C32H51N5O12
Molecular Weight
697.77
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Me-Tet-PEG9-COOH
CAS Number2143964-70-7
PubChem CID138393875
IUPAC Name3-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Molecular FormulaC32H51N5O12
Molecular Weight697.8
XLogP-2.1
Topological Polar Surface Area201
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count16
Rotatable Bond Count33
Heavy Atom Count49
Formal Charge0
Complexity790
SMILES
CC1=NN=C(N=N1)C2=CC=C(C=C2)CNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O
InChI
InChI=1S/C32H51N5O12/c1-27-34-36-32(37-35-27)29-4-2-28(3-5-29)26-33-30(38)6-8-41-10-12-43-14-16-45-18-20-47-22-24-49-25-23-48-21-19-46-17-15-44-13-11-42-9-7-31(39)40/h2-5H,6-26H2,1H3,(H,33,38)(H,39,40)
InChIKey
FODPVNVJILZXJT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Me-Tet-PEG9-COOH
CAS: 2143964-70-7
CID: 138393875
Formula: C32H51N5O12
MW: 697.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight697.8
XLogP3-2.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count16
Rotatable Bond Count33
Exact Mass697.35342208
Monoisotopic Mass697.35342208
Topological Polar Surface Area201 Ų
Heavy Atom Count49
Formal Charge0
Complexity790
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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