m-PEG6-DBCO

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m-PEG6-DBCO

m-PEG6-DBCO

Catalog Number R01-0367
Category Cycloalkyne Dyes (DBCO)
Molecular Formula C32H42N2O8
Molecular Weight 582.7
Catalog Number Size Price Quantity
R01-0367 -- $--

Chemical Information

IUPAC Name 4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-N-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-oxobutanamide
Canonical SMILES COCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)N1CC2=CC=CC=C2C#CC3=CC=CC=C31
InChI InChI=1S/C32H42N2O8/c1-37-16-17-39-20-21-41-24-25-42-23-22-40-19-18-38-15-14-33-31(35)12-13-32(36)34-26-29-8-3-2-6-27(29)10-11-28-7-4-5-9-30(28)34/h2-9H,12-26H2,1H3,(H,33,35)
InChI Key UKYUKFLMFXICNZ-UHFFFAOYSA-N
  • Product Specification
Storage -20 °C

Computed Properties

XLogP3 1.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 21
Exact Mass 582.29411630 g/mol
Monoisotopic Mass 582.29411630 g/mol
Topological Polar Surface Area 105Ų
Heavy Atom Count 42
Formal Charge 0
Complexity 828
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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