DBCO-PEG3-TCO

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DBCO-PEG3-TCO

DBCO-PEG3-TCO

Catalog Number R01-0294
Category Cycloalkyne Dyes (DBCO)
Molecular Formula C36H45N3O7
Molecular Weight 631.76
Catalog Number Size Price Quantity
R01-0294 -- $--

Chemical Information

Purity 98.0%
Shelf Life 0-4°C for short term (days to weeks), or -20°C for long term (months).
Canonical SMILES C1CC=CCCC(C1)OC(=O)NCCOCCOCCOCCNC(=O)CCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42
InChI InChI=1S/C36H45N3O7/c40-34(18-19-35(41)39-28-31-12-7-6-10-29(31)16-17-30-11-8-9-15-33(30)39)37-20-22-43-24-26-45-27-25-44-23-21-38-36(42)46-32-13-4-2-1-3-5-14-32/h1-2,6-12,15,32H,3-5,13-14,18-28H2,(H,37,40)(H,38,42)/b2-1+/t32-/m1/s1
InChI Key OYEIJQBQBCHZLD-XIASJIJZSA-N
Solubility 10 mm in DMSO
Appearance Light yellow oil
  • Product Specification
Storage Store at -20 °C, keep in dry and avoid sunlight.

Computed Properties

XLogP3 3.6
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 17
Exact Mass 631.32575078 g/mol
Monoisotopic Mass 631.32575078 g/mol
Topological Polar Surface Area 115Ų
Heavy Atom Count 46
Formal Charge 0
Complexity 1040
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes
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