DBCO-PEG6-acid

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DBCO-PEG6-acid

DBCO-PEG6-acid

Catelog Number R01-0414
Category Cycloalkyne Dyes (DBCO)
Molecular Formula C34H44N2O10
Molecular Weight 640.7
Catalog Number Size Price Quantity
R01-0414 -- $--

Chemical Information

IUPAC Name 3-[2-[2-[2-[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]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Canonical SMILES C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCC(=O)O
InChI InChI=1S/C34H44N2O10/c37-32(11-12-33(38)36-27-30-7-2-1-5-28(30)9-10-29-6-3-4-8-31(29)36)35-14-16-42-18-20-44-22-24-46-26-25-45-23-21-43-19-17-41-15-13-34(39)40/h1-8H,11-27H2,(H,35,37)(H,39,40)
InChI Key NBCHNMYYEDTNKC-UHFFFAOYSA-N

Product Specification

Storage -20 °C

Computed Properties

XLogP3 0.7
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 10
Rotatable Bond Count 24
Exact Mass 640.29959560 g/mol
Monoisotopic Mass 640.29959560 g/mol
Topological Polar Surface Area 142Ų
Heavy Atom Count 46
Formal Charge 0
Complexity 951
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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