TCO-PEG6-DBCO

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TCO-PEG6-DBCO

TCO-PEG6-DBCO

Catelog Number R01-0339
Category Cycloalkyne Dyes (DBCO)
Molecular Formula C42H57N3O10
Molecular Weight 763.9
Catalog Number Size Price Quantity
R01-0339 -- $--

Chemical Information

IUPAC Name [(4E)-cyclooct-4-en-1-yl] N-[2-[2-[2-[2-[2-[2-[3-[[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
Canonical SMILES C1CC=CCCC(C1)OC(=O)NCCOCCOCCOCCOCCOCCOCCC(=O)NCCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42
InChI InChI=1S/C42H57N3O10/c46-40(43-20-18-41(47)45-34-37-12-7-6-10-35(37)16-17-36-11-8-9-15-39(36)45)19-22-49-24-26-51-28-30-53-32-33-54-31-29-52-27-25-50-23-21-44-42(48)55-38-13-4-2-1-3-5-14-38/h1-2,6-12,15,38H,3-5,13-14,18-34H2,(H,43,46)(H,44,48)/b2-1+
InChI Key INOZHMHXBILIOY-OWOJBTEDSA-N

Product Specification

Storage -20 °C

Computed Properties

XLogP3 3.2
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 10
Rotatable Bond Count 26
Exact Mass 763.40439502 g/mol
Monoisotopic Mass 763.40439502 g/mol
Topological Polar Surface Area 143Ų
Heavy Atom Count 55
Formal Charge 0
Complexity 1190
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes
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