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BDP FL-PEG4-TCO
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BDP FL-PEG4-TCO

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Catalog NumberCCR2183473165
CAS2183473-16-5
SynonymsBDP FL-PEG4-(4E)-TCO
IUPAC Name[(4Z)-Cyclooct-4-en-1-yl] N-[2-[2-[2-[2-[2-[3-(2,2-difluoro-10,12-dimethyl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-4-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
Molecular Weight662.6
Molecular FormulaC33H49BF2N4O7
Canonical SMILES[B-]1(N2C(=CC(=C2C=C3[N+]1=C(C=C3)CCC(=O)NCCOCCOCCOCCOCCNC(=O)OC4CCCC=CCC4)C)C)(F)F
InChIInChI=1S/C33H49BF2N4O7/c1-26-24-27(2)39-31(26)25-29-11-10-28(40(29)34(39,35)36)12-13-32(41)37-14-16-43-18-20-45-22-23-46-21-19-44-17-15-38-33(42)47-30-8-6-4-3-5-7-9-30/h3-4,10-11,24-25,30H,5-9,12-23H2,1-2H3,(H,37,41)(H,38,42)/b4-3-
InChI KeyFISJDIFFUFNJNS-ARJAWSKDSA-N
SolubilitySoluble in DMSO, DMF, DCM, low solubility in water
ApplicationIEDDA Click Reaction
Complexity1150
Exact Mass662.3662364
Isomeric SMILES[B-]1(N2C(=CC(=C2C=C3[N+]1=C(C=C3)CCC(=O)NCCOCCOCCOCCOCCNC(=O)OC4CCC/C=C\CC4)C)C)(F)F
Monoisotopic Mass662.3662364
Topological Polar Surface Area112Ų

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