DBCO-NHCO-PEG4-t-butyl ester

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DBCO-NHCO-PEG4-t-butyl ester

DBCO-NHCO-PEG4-t-butyl ester

Catalog Number R01-0384
Category Cycloalkyne Dyes (DBCO)
Molecular Formula C34H44N2O8
Molecular Weight 608.7
Catalog Number Size Price Quantity
R01-0384 -- $--

Product Introduction

DBCO-NHCO-PEG4-t-butyl ester

Chemical Information

Purity 98%
IUPAC Name tert-butyl 3-[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]propanoate
Canonical SMILES CC(C)(C)OC(=O)CCOCCOCCOCCOCCC(=O)NCCC(=O)N1CC2=CC=CC=C2C#CC3=CC=CC=C31
InChI InChI=1S/C34H44N2O8/c1-34(2,3)44-33(39)16-19-41-21-23-43-25-24-42-22-20-40-18-15-31(37)35-17-14-32(38)36-26-29-10-5-4-8-27(29)12-13-28-9-6-7-11-30(28)36/h4-11H,14-26H2,1-3H3,(H,35,37)
InChI Key YSNXYYQVJQQNMB-UHFFFAOYSA-N
Solubility DMSO, DCM, DMF
  • Product Specification
Storage -20 °C

Computed Properties

XLogP3 2.3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 20
Exact Mass 608.30976637 g/mol
Monoisotopic Mass 608.30976637 g/mol
Topological Polar Surface Area 113Ų
Heavy Atom Count 44
Formal Charge 0
Complexity 952
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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