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N-Boc-PEG9-alcohol

CAT: 0931-T18407-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T18407-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2112731-44-7
Target
ADC Linker, PROTAC Linker
Related Pathways
Antibody-drug Conjugate/ADC Related, PROTAC
Bioactivity
N-Boc-PEG9-alcohol is a cleavable ADC linker utilized in the synthesis of antibody-drug conjugates (ADCs) [1].
Smiles
O(CCOCCOCCOCCOCCOCCOCCOCCO)CCNC(OC(C)(C)C)=O
Molecular Formula
C23H47NO11
Molecular Weight
513.62
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-Boc-PEG9-alcohol
CAS Number2112731-44-7
PubChem CID126480439
IUPAC Nametert-butyl N-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
Molecular FormulaC23H47NO11
Molecular Weight513.6
XLogP-0.9
Topological Polar Surface Area132
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count28
Heavy Atom Count35
Formal Charge0
Complexity450
SMILES
CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChI
InChI=1S/C23H47NO11/c1-23(2,3)35-22(26)24-4-6-27-8-10-29-12-14-31-16-18-33-20-21-34-19-17-32-15-13-30-11-9-28-7-5-25/h25H,4-21H2,1-3H3,(H,24,26)
InChIKey
RRJGWZKZLBILQF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Boc-PEG9-alcohol
CAS: 2112731-44-7
CID: 126480439
Formula: C23H47NO11
MW: 513.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight513.6
XLogP3-0.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count28
Exact Mass513.31491132
Monoisotopic Mass513.31491132
Topological Polar Surface Area132 Ų
Heavy Atom Count35
Formal Charge0
Complexity450
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

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MBS5801138Benzyl-PEG9-alcohol
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