DBCO-PEG6-NHS ester

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DBCO-PEG6-NHS ester

DBCO-PEG6-NHS ester

Catalog Number R01-0428
Category Cycloalkyne Dyes (DBCO)
Molecular Formula C38H47N3O12
Molecular Weight 737.8
Catalog Number Size Price Quantity
R01-0428 -- $--

Chemical Information

IUPAC Name (2,5-dioxopyrrolidin-1-yl) 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]propanoate
Canonical SMILES C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42
InChI InChI=1S/C38H47N3O12/c42-34(11-12-35(43)40-29-32-7-2-1-5-30(32)9-10-31-6-3-4-8-33(31)40)39-16-18-48-20-22-50-24-26-52-28-27-51-25-23-49-21-19-47-17-15-38(46)53-41-36(44)13-14-37(41)45/h1-8H,11-29H2,(H,39,42)
InChI Key NAVVOIUTVMJKRT-UHFFFAOYSA-N
  • Product Specification
Storage -20 °C

Computed Properties

XLogP3 0.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 12
Rotatable Bond Count 26
Exact Mass 737.31597394 g/mol
Monoisotopic Mass 737.31597394 g/mol
Topological Polar Surface Area 169Ų
Heavy Atom Count 53
Formal Charge 0
Complexity 1220
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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