Active-Mono-Sulfone-PEG8-amido-Methyltetrazine

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Active-Mono-Sulfone-PEG8-amido-Methyltetrazine

Active-Mono-Sulfone-PEG8-amido-Methyltetrazine

Catalog Number R08-0018
Category Tetrazines
Molecular Formula C47H62N6O13S
Molecular Weight 951.1
Catalog Number Size Price Quantity
R08-0018 -- $--
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Chemical Information
IUPAC Name 4-[2-[(4-methylphenyl)sulfonylmethyl]prop-2-enoyl]-N-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]benzamide
Canonical SMILES CC1=CC=C(C=C1)S(=O)(=O)CC(=C)C(=O)C2=CC=C(C=C2)C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCC3=CC=C(C=C3)C4=NN=C(N=N4)C
InChI InChI=1S/C47H62N6O13S/c1-36-4-14-43(15-5-36)67(57,58)35-37(2)45(55)40-10-12-42(13-11-40)47(56)48-17-19-60-21-23-62-25-27-64-29-31-66-33-32-65-30-28-63-26-24-61-22-20-59-18-16-44(54)49-34-39-6-8-41(9-7-39)46-52-50-38(3)51-53-46/h4-15H,2,16-35H2,1,3H3,(H,48,56)(H,49,54)
InChI Key JIYMLIPJZIKWMK-UHFFFAOYSA-N
  • Product Specification
Storage -20 °C

Computed Properties
XLogP3 0.9
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 17
Rotatable Bond Count 36
Exact Mass 950.40955723 g/mol
Monoisotopic Mass 950.40955723 g/mol
Topological Polar Surface Area 243Ų
Heavy Atom Count 67
Formal Charge 0
Complexity 1480
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

Applications of Fluorescent Probes & Dyes

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