Methyltetrazine-PEG4-hydrazone-DBCO

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Methyltetrazine-PEG4-hydrazone-DBCO

Methyltetrazine-PEG4-hydrazone-DBCO

Catalog Number R01-0315
Category Cycloalkyne Dyes (DBCO)
Molecular Formula C48H51N9O8
Molecular Weight 881.97
Catalog Number Size Price Quantity
R01-0315 -- $--

Chemical Information

Purity ≥95%
Shelf Life 0-4°C for short term (days to weeks), or -20°C for long term (months).
Canonical SMILES CC1=NN=C(N=N1)C2=CC=C(C=C2)CNC(=O)CCOCCOCCOCCOCCNC(=O)C3=CC=C(C=C3)C=NNC(=O)CCC(=O)N4CC5=CC=CC=C5C#CC6=CC=CC=C64
InChI InChI=1S/C48H51N9O8/c1-35-52-55-47(56-53-35)40-14-10-36(11-15-40)32-50-44(58)22-24-62-26-28-64-30-31-65-29-27-63-25-23-49-48(61)41-16-12-37(13-17-41)33-51-54-45(59)20-21-46(60)57-34-42-8-3-2-6-38(42)18-19-39-7-4-5-9-43(39)57/h2-17,33H,20-32,34H2,1H3,(H,49,61)(H,50,58)(H,54,59)/b51-33-
InChI Key ZJVZNEHWFCHHDP-UVXOUDFXSA-N
Solubility 10 mm in DMSO
Appearance Red solid
  • Product Specification
Storage Store at -20 °C, keep in dry and avoid sunlight.

Computed Properties

XLogP3 1.9
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 13
Rotatable Bond Count 24
Exact Mass 881.38605962 g/mol
Monoisotopic Mass 881.38605962 g/mol
Topological Polar Surface Area 208Ų
Heavy Atom Count 65
Formal Charge 0
Complexity 1550
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes
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