TCO-PEG4-DBCO

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TCO-PEG4-DBCO

TCO-PEG4-DBCO | 1801863-88-6

Catalog Number R15-0016
Category Cycloalkyne Dyes (DBCO)
Molecular Formula C38H49N3O8
Molecular Weight 675.81
Catalog Number Size Price Quantity
R15-0016 -- $--

Chemical Information

Synonyms (4E)-Tco-peg4-dbco
Purity >98.0%
Shelf Life ≥ 2 years
Canonical SMILES C1CC=CCCC(C1)OC(=O)NCCOCCOCCOCCOCCC(=O)NCCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42
InChI InChI=1S/C38H49N3O8/c42-36(39-20-18-37(43)41-30-33-12-7-6-10-31(33)16-17-32-11-8-9-15-35(32)41)19-22-45-24-26-47-28-29-48-27-25-46-23-21-40-38(44)49-34-13-4-2-1-3-5-14-34/h1-2,6-12,15,34H,3-5,13-14,18-30H2,(H,39,42)(H,40,44)
InChI Key MXNJAXPSMJDOOY-UHFFFAOYSA-N
Solubility 10 mm in DMSO
Appearance Solid
  • Product Specification
Storage Store at -5°C,keep in dry and avoid sunlight.

Computed Properties

XLogP3 3.5
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 20
Exact Mass 675.35196553 g/mol
Monoisotopic Mass 675.35196553 g/mol
Topological Polar Surface Area 125Ų
Heavy Atom Count 49
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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