DBCO-NHCO-PEG4-NH-Boc

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DBCO-NHCO-PEG4-NH-Boc

DBCO-NHCO-PEG4-NH-Boc | 1255942-12-1

Catelog Number R01-0350
Category Cycloalkyne Dyes (DBCO)
Molecular Formula C34H45N3O8
Molecular Weight 623.74
Catalog Number Size Price Quantity
R01-0350 -- $--

Chemical Information

Synonyms tert-butyl N-[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]ethyl]carbamate; DBCO-NH-PEG4-NH-Boc; tert-butyl N-{14-[(3-{2-azatricyclo[10.4.0.0,hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl}-3-oxopropyl)carbamoyl]-3,6,9,12-tetraoxatetradecan-1-yl}carbamate
Purity 98.0%
Shelf Life -20℃ 3 years powder; -80℃ 2 years in solvent
Canonical SMILES CC(C)(C)OC(=O)NCCOCCOCCOCCOCCC(=O)NCCC(=O)N1CC2=CC=CC=C2C#CC3=CC=CC=C31
InChI InChI=1S/C34H45N3O8/c1-34(2,3)45-33(40)36-17-19-42-21-23-44-25-24-43-22-20-41-18-15-31(38)35-16-14-32(39)37-26-29-10-5-4-8-27(29)12-13-28-9-6-7-11-30(28)37/h4-11H,14-26H2,1-3H3,(H,35,38)(H,36,40)
InChI Key YUOUOEOEOWCRQI-UHFFFAOYSA-N
Solubility DMSO, DCM, DMF

Product Specification

Storage -20°C

Computed Properties

XLogP3 2.2
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 20
Exact Mass 623.32066540 g/mol
Monoisotopic Mass 623.32066540 g/mol
Topological Polar Surface Area 125Ų
Heavy Atom Count 45
Formal Charge 0
Complexity 972
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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