DBCO-PEG4-HyNic

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DBCO-PEG4-HyNic

DBCO-PEG4-HyNic

Catalog Number R01-0275
Category Cycloalkyne Dyes (DBCO)
Molecular Formula C38H46N6O7
Molecular Weight 698.81
Catalog Number Size Price Quantity
R01-0275 -- $--

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 CC(=NNC1=NC=C(C=C1)C(=O)NCCOCCOCCOCCOCCC(=O)NCCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42)C
InChI InChI=1S/C38H46N6O7/c1-29(2)42-43-35-14-13-32(27-41-35)38(47)40-18-20-49-22-24-51-26-25-50-23-21-48-19-16-36(45)39-17-15-37(46)44-28-33-9-4-3-7-30(33)11-12-31-8-5-6-10-34(31)44/h3-10,13-14,27H,15-26,28H2,1-2H3,(H,39,45)(H,40,47)(H,41,43)
InChI Key RNFTZVOJVGNSOV-UHFFFAOYSA-N
Solubility 10 mm in DMSO
Appearance Oil
  • Product Specification
Storage Store at -20 °C, keep in dry and avoid sunlight.

Computed Properties

XLogP3 1.9
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 10
Rotatable Bond Count 21
Exact Mass 698.34279783 g/mol
Monoisotopic Mass 698.34279783 g/mol
Topological Polar Surface Area 153Ų
Heavy Atom Count 51
Formal Charge 0
Complexity 1170
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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