TCO-PEG12-NHS ester

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TCO-PEG12-NHS ester

TCO-PEG12-NHS ester | 2185016-39-9

Catalog Number R15-0042
Category TCO
Molecular Formula C40H70N2O18
Molecular Weight 866.99
Catalog Number Size Price Quantity
R15-0042 -- $--

Chemical Information

Synonyms 2,5-Dioxopyrrolidin-1-yl (E)-1-(cyclooct-4-en-1-yloxy)-1-oxo-5,8,11,14,17,20,23,26,29,32,35,38-dodecaoxa-2-azahentetracontan-41-oate
Purity >98.0%
Shelf Life ≥ 2 years
Canonical SMILES C1CC=CCCC(C1)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)ON2C(=O)CCC2=O
InChI InChI=1S/C40H70N2O18/c43-37-8-9-38(44)42(37)60-39(45)10-12-47-14-16-49-18-20-51-22-24-53-26-28-55-30-32-57-34-35-58-33-31-56-29-27-54-25-23-52-21-19-50-17-15-48-13-11-41-40(46)59-36-6-4-2-1-3-5-7-36/h1-2,36H,3-35H2,(H,41,46)/b2-1-
InChI Key NVOXZBGFZZFRHC-UPHRSURJSA-N
Solubility 10 mm in DMSO
Appearance Solid
  • Product Specification
Storage -20°C

Computed Properties

XLogP3 -0.6
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 18
Rotatable Bond Count 43
Exact Mass 866.46236339 g/mol
Monoisotopic Mass 866.46236339 g/mol
Topological Polar Surface Area 213Ų
Heavy Atom Count 60
Formal Charge 0
Complexity 1090
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes
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