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Amino-PEG5-C2-acid

CAT: 0931-T14245-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T14245-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1191078-74-6
Target
PROTAC Linker, ADC Linker
Related Pathways
PROTAC, Antibody-drug Conjugate/ADC Related
Bioactivity
Amino-PEG5-C2-acid is a non-cleavable ADC linker utilized in the synthesis of antibody-drug conjugates (ADCs) [1].
Smiles
O(CCOCCOCCOCCN)CCOCCC(O)=O
Molecular Formula
C13H27NO7
Molecular Weight
309.36
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Amino-PEG5-acid
CAS Number1191078-74-6
PubChem CID51035061
IUPAC Name3-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Molecular FormulaC13H27NO7
Molecular Weight309.36
XLogP-4.2
Topological Polar Surface Area109
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count17
Heavy Atom Count21
Formal Charge0
Complexity229
SMILES
C(COCCOCCOCCOCCOCCN)C(=O)O
InChI
InChI=1S/C13H27NO7/c14-2-4-18-6-8-20-10-12-21-11-9-19-7-5-17-3-1-13(15)16/h1-12,14H2,(H,15,16)
InChIKey
ZTYIBTVLGAIXDY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Amino-PEG5-acid
CAS: 1191078-74-6
CID: 51035061
Formula: C13H27NO7
MW: 309.36
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight309.36
XLogP3-4.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count17
Exact Mass309.17875220
Monoisotopic Mass309.17875220
Topological Polar Surface Area109 Ų
Heavy Atom Count21
Formal Charge0
Complexity229
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