Methyltetrazine-PEG9-acid

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Methyltetrazine-PEG9-acid

Methyltetrazine-PEG9-acid

Catelog Number R08-0055
Category Tetrazines
Molecular Formula C30H48N4O12
Molecular Weight 656.7
Catalog Number Size Price Quantity
R08-0055 -- $--

Chemical Information

Purity 96%
IUPAC Name 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Canonical SMILES CC1=NN=C(N=N1)C2=CC=C(C=C2)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O
InChI InChI=1S/C30H48N4O12/c1-26-31-33-30(34-32-26)27-2-4-28(5-3-27)46-25-24-45-23-22-44-21-20-43-19-18-42-17-16-41-15-14-40-13-12-39-11-10-38-9-8-37-7-6-29(35)36/h2-5H,6-25H2,1H3,(H,35,36)
InChI Key DNSXREKTZGCQQC-UHFFFAOYSA-N

Product Specification

Storage -20 °C

Computed Properties

XLogP3 -1.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 16
Rotatable Bond Count 32
Exact Mass 656.32687298 g/mol
Monoisotopic Mass 656.32687298 g/mol
Topological Polar Surface Area 181Ų
Heavy Atom Count 46
Formal Charge 0
Complexity 686
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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