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Bis-PEG3-NHS ester

CAT: 0013-GTR19156264-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19156264-02Size:500 mg
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Description
Bis-PEG3-NHS ester is a nonclaevable 3-unit PEG linker for antibody-drug-conjugation (ADC) .
CAS Number
1314378-16-9
Field of Research
Cell Biology
Purity
>98% (HPLC)
Solubility
DMSO:10 mM
Smiles
O=C (ON1C (CCC1=O) =O) CCOCCOCCOCCC (ON2C (CCC2=O) =O) =O
Molecular Formula
C18H24N2O11
Molecular Weight
444.39
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Bis-PEG3-NHS Ester
CAS Number1314378-16-9
PubChem CID57673804
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]propanoate
Molecular FormulaC18H24N2O11
Molecular Weight444.4
XLogP-2.3
Topological Polar Surface Area155
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count16
Heavy Atom Count31
Formal Charge0
Complexity619
SMILES
C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCC(=O)ON2C(=O)CCC2=O
InChI
InChI=1S/C18H24N2O11/c21-13-1-2-14(22)19(13)30-17(25)5-7-27-9-11-29-12-10-28-8-6-18(26)31-20-15(23)3-4-16(20)24/h1-12H2
InChIKey
OPGNUERFYQLUNP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bis-PEG3-NHS Ester
CAS: 1314378-16-9
CID: 57673804
Formula: C18H24N2O11
MW: 444.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight444.4
XLogP3-2.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count16
Exact Mass444.13800959
Monoisotopic Mass444.13800959
Topological Polar Surface Area155 Ų
Heavy Atom Count31
Formal Charge0
Complexity619
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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