DBCO-PEG8-Mal

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DBCO-PEG8-Mal

DBCO-PEG8-Mal

Catalog Number R01-0386
Category Cycloalkyne Dyes (DBCO)
Molecular Formula C44H58N4O13
Molecular Weight 851.0
Catalog Number Size Price Quantity
R01-0386 -- $--

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-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-oxobutanamide
Canonical SMILES C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCN4C(=O)C=CC4=O
InChI InChI=1S/C44H58N4O13/c49-40(11-12-44(53)48-35-38-7-2-1-5-36(38)9-10-37-6-3-4-8-39(37)48)45-16-19-54-21-23-56-25-27-58-29-31-60-33-34-61-32-30-59-28-26-57-24-22-55-20-17-46-41(50)15-18-47-42(51)13-14-43(47)52/h1-8,13-14H,11-12,15-35H2,(H,45,49)(H,46,50)
InChI Key QVDWXJPVYDMUAJ-UHFFFAOYSA-N
Solubility DMSO, DCM, DMF
  • Product Specification
Storage -20 °C

Computed Properties

XLogP3 -0.6
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 13
Rotatable Bond Count 33
Exact Mass 850.40003792 g/mol
Monoisotopic Mass 850.40003792 g/mol
Topological Polar Surface Area 190Ų
Heavy Atom Count 61
Formal Charge 0
Complexity 1400
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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