Diazo-PEG3-TCO

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Diazo-PEG3-TCO

Diazo-PEG3-TCO

Catalog Number R15-0001
Category TCO
Molecular Formula C45H59N7O6
Molecular Weight 794.0
Catalog Number Size Price Quantity
R15-0001 -- $--

Chemical Information

Purity 98 %
IUPAC Name [(4E)-cyclooct-4-en-1-yl] N-[2-[2-[2-[2-[[4-[[[1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene]amino]diazenyl]benzoyl]amino]ethoxy]ethoxy]ethoxy]ethyl]carbamate
Canonical SMILES CC1=CC(=C(C(=C1)C)N2C=CN(C2=NN=NC3=CC=C(C=C3)C(=O)NCCOCCOCCOCCNC(=O)OC4CCCC=CCC4)C5=C(C=C(C=C5C)C)C)C
InChI InChI=1S/C45H59N7O6/c1-32-28-34(3)41(35(4)29-32)51-20-21-52(42-36(5)30-33(2)31-37(42)6)44(51)49-50-48-39-16-14-38(15-17-39)43(53)46-18-22-55-24-26-57-27-25-56-23-19-47-45(54)58-40-12-10-8-7-9-11-13-40/h7-8,14-17,20-21,28-31,40H,9-13,18-19,22-27H2,1-6H3,(H,46,53)(H,47,54)/b8-7+,50-48?
InChI Key UVEQCQPFYNNNBD-RLYYCHPISA-N
  • Product Specification
Storage -20 °C

Computed Properties

XLogP3 8
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 19
Exact Mass 793.45268263 g/mol
Monoisotopic Mass 793.45268263 g/mol
Topological Polar Surface Area 139Ų
Heavy Atom Count 58
Formal Charge 0
Complexity 1300
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes
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