Structure

acid-PEG8-S-S-PEG8-acid

CAS
873013-93-5
Catalog Number
ACM873013935-1
Category
Acid PEG Linkers
Molecular Weight
915.1g/mol
Molecular Formula
C38H74O20S2

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Specification

IUPAC Name
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyldisulfanyl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Canonical SMILES
C(COCCOCCOCCOCCOCCOCCOCCOCCSSCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O)C(=O)O
InChI
InChI=1S/C38H74O20S2/c39-37(40)1-3-43-5-7-45-9-11-47-13-15-49-17-19-51-21-23-53-25-27-55-29-31-57-33-35-59-60-36-34-58-32-30-56-28-26-54-24-22-52-20-18-50-16-14-48-12-10-46-8-6-44-4-2-38(41)42/h1-36H2,(H,39,40)(H,41,42)
InChI Key
SSUZECNFRDBXHC-UHFFFAOYSA-N
Complexity
790
Covalently-Bonded Unit Count
1
Exact Mass
914.421487g/mol
Formal Charge
0
H-Bond Acceptor
22
H-Bond Donor
2
Heavy Atom Count
60
Monoisotopic Mass
914.421487g/mol
Rotatable Bond Count
55
XLogP3
-2.5
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