DBCO-PEG2-DBCO

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DBCO-PEG2-DBCO

DBCO-PEG2-DBCO

Catalog Number R01-0378
Category Cycloalkyne Dyes (DBCO)
Molecular Formula C44H42N4O6
Molecular Weight 722.8
Catalog Number Size Price Quantity
R01-0378 -- $--

Chemical Information

Purity 98%
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-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethyl]-4-oxobutanamide
Canonical SMILES C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)N4CC5=CC=CC=C5C#CC6=CC=CC=C64
InChI InChI=1S/C44H42N4O6/c49-41(21-23-43(51)47-31-37-13-3-1-9-33(37)17-19-35-11-5-7-15-39(35)47)45-25-27-53-29-30-54-28-26-46-42(50)22-24-44(52)48-32-38-14-4-2-10-34(38)18-20-36-12-6-8-16-40(36)48/h1-16H,21-32H2,(H,45,49)(H,46,50)
InChI Key GPRBYNSGOSAHPU-UHFFFAOYSA-N
  • Product Specification
Storage -20 °C

Computed Properties

XLogP3 3.6
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 15
Exact Mass 722.31043507 g/mol
Monoisotopic Mass 722.31043507 g/mol
Topological Polar Surface Area 117Ų
Heavy Atom Count 54
Formal Charge 0
Complexity 1320
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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