PTAD-PEG4-alkyne

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PTAD-PEG4-alkyne

PTAD-PEG4-alkyne

Catalog Number R01-0238
Category Alkynes
Molecular Formula C23H32N4O9
Molecular Weight 508.52
Catalog Number Size Price Quantity
R01-0238 -- $--

Chemical Information

Purity >98.0%
Shelf Life ≥ 2 years
Canonical SMILES COC1=C(C=CC(=C1)N2C(=O)NNC2=O)OCCNC(=O)CCOCCOCCOCCOCC#C
InChI InChI=1S/C23H32N4O9/c1-3-8-32-11-13-34-15-16-35-14-12-33-9-6-21(28)24-7-10-36-19-5-4-18(17-20(19)31-2)27-22(29)25-26-23(27)30/h1,4-5,17H,6-16H2,2H3,(H,24,28)(H,25,29)(H,26,30)
InChI Key WWMWQNARGRUYDG-UHFFFAOYSA-N
Solubility 10 mm in DMSO
Appearance Colorless oil
  • Product Specification
Storage Store at -20 °C, keep in dry and avoid sunlight.

Computed Properties

XLogP3 -0.6
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 19
Exact Mass 508.21692861 g/mol
Monoisotopic Mass 508.21692861 g/mol
Topological Polar Surface Area 146Ų
Heavy Atom Count 36
Formal Charge 0
Complexity 714
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes
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