N-(Fmoc-N-amido-PEG4)-N-Biotin-PEG4-t-Boc-Hydrazide

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N-(Fmoc-N-amido-PEG4)-N-Biotin-PEG4-t-Boc-Hydrazide

N-(Fmoc-N-amido-PEG4)-N-Biotin-PEG4-t-Boc-Hydrazide

Catalog Number R01-0322
Category Cycloalkyne Dyes (DBCO)
Molecular Formula C55H81N7O15S
Molecular Weight 1112.4
Catalog Number Size Price Quantity
R01-0322 -- $--

Chemical Information

Purity 98%
IUPAC Name tert-butyl N-[3-[2-[2-[2-[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]ethyl-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]carbamate
Canonical SMILES CC(C)(C)OC(=O)NNC(=O)CCOCCOCCOCCOCCN(CCOCCOCCOCCOCCNC(=O)CCC(=O)N1CC2=CC=CC=C2C#CC3=CC=CC=C31)C(=O)CCCCC4C5C(CS4)NC(=O)N5
InChI InChI=1S/C55H81N7O15S/c1-55(2,3)77-54(68)60-59-49(64)20-24-69-28-32-73-36-38-75-34-30-71-26-22-61(50(65)15-9-8-14-47-52-45(41-78-47)57-53(67)58-52)23-27-72-31-35-76-39-37-74-33-29-70-25-21-56-48(63)18-19-51(66)62-40-44-12-5-4-10-42(44)16-17-43-11-6-7-13-46(43)62/h4-7,10-13,45,47,52H,8-9,14-15,18-41H2,1-3H3,(H,56,63)(H,59,64)(H,60,68)(H2,57,58,67)
InChI Key IFMIXAJBFNBYMB-UHFFFAOYSA-N
  • Product Specification
Storage -20 °C

Computed Properties

XLogP3 1.1
Hydrogen Bond Donor Count 5
Hydrogen Bond Acceptor Count 16
Rotatable Bond Count 40
Exact Mass 1111.55113608 g/mol
Monoisotopic Mass 1111.55113608 g/mol
Topological Polar Surface Area 277Ų
Heavy Atom Count 78
Formal Charge 0
Complexity 1870
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 3
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes
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