endo-BCN-PEG2-PFP ester

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endo-BCN-PEG2-PFP ester

endo-BCN-PEG2-PFP ester | 1421932-53-7

Catelog Number R16-0020
Category BCN
Molecular Formula C24H26F5NO6
Molecular Weight 519.46
Catalog Number Size Price Quantity
R16-0020 -- $--

Chemical Information

Synonyms perfluorophenyl 1-(bicyclo[6.1.0]non-4-yn-9-yl)-3-oxo-2,7,10-trioxa-4-azatridecan-13-oate;
Purity ≥98%
Canonical SMILES C1CC2C(C2COC(=O)NCCOCCOCCC(=O)OC3=C(C(=C(C(=C3F)F)F)F)F)CCC#C1
InChI InChI=1S/C24H26F5NO6/c25-18-19(26)21(28)23(22(29)20(18)27)36-17(31)7-9-33-11-12-34-10-8-30-24(32)35-13-16-14-5-3-1-2-4-6-15(14)16/h14-16H,3-13H2,(H,30,32)
InChI Key OQSLFTLVSWOAIW-UHFFFAOYSA-N
Solubility DMSO, DCM, DMF
Appearance Soild powder

Product Specification

Storage Please store the product under the recommended conditions in the Certificate of Analysis.

Computed Properties

XLogP3 3.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 11
Rotatable Bond Count 14
Exact Mass 519.16802836 g/mol
Monoisotopic Mass 519.16802836 g/mol
Topological Polar Surface Area 83.1Ų
Heavy Atom Count 36
Formal Charge 0
Complexity 772
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes
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