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Mal-PEG6-NHS ester

CAT: 0013-GTR19226361Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19226361Size:2 mg
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Description
Mal-PEG6-NHS ester is a heterobifunctional crosslinker featuring a maleimide group for thiol conjugation and an NHS ester for amine coupling, connected by a hydrophilic PEG6 spacer. It is widely used in ADC development and protein bioconjugation for both in vitro assays and in vivo studies, facilitating stable antibody-drug conjugate formation.
CAS Number
1599472-25-9
Field of Research
Pharmacology & Drug Discovery
Smiles
O=C (ON1C (=O) CCC1=O) CCOCCOCCOCCOCCOCCOCCN2C (=O) C=CC2=O
Molecular Formula
C23H34N2O12
Molecular Weight
530.52
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Mal-PEG6-NHS ester
CAS Number1599472-25-9
PubChem CID60146184
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Molecular FormulaC23H34N2O12
Molecular Weight530.5
XLogP-2.5
Topological Polar Surface Area156
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count12
Rotatable Bond Count23
Heavy Atom Count37
Formal Charge0
Complexity754
SMILES
C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCOCCOCCN2C(=O)C=CC2=O
InChI
InChI=1S/C23H34N2O12/c26-19-1-2-20(27)24(19)6-8-32-10-12-34-14-16-36-18-17-35-15-13-33-11-9-31-7-5-23(30)37-25-21(28)3-4-22(25)29/h1-2H,3-18H2
InChIKey
UUNUCVXNAHYFJP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mal-PEG6-NHS ester
CAS: 1599472-25-9
CID: 60146184
Formula: C23H34N2O12
MW: 530.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight530.5
XLogP3-2.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count12
Rotatable Bond Count23
Exact Mass530.21117452
Monoisotopic Mass530.21117452
Topological Polar Surface Area156 Ų
Heavy Atom Count37
Formal Charge0
Complexity754
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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