Bis-PEG13-PFP ester
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Basic information
- CAS
1383567-59-6- Standard SMILES
O=C(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)Oc1c(F)c(F)c(F)c(F)c1F)Oc1c(F)c(F)c(F)c(F)c1F- InChIKey
WJRAPHRYVGETKA-UHFFFAOYSA-N- Molecular formula
- C42H56F10O17
- Average molar mass
- 1,022.9 g/mol
Names & identifiers
- Preferred name
- Bis-PEG13-PFP ester
- IUPAC
- (2,3,4,5,6-pentafluorophenyl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-oxo-3-(2,3,4,5,6-pentafluorophenoxy)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
- English name
- Bis-PEG13-PFP ester
- Molecular formula
- C42H56F10O17
- Molecular weight
- 1022.87
Names & synonyms
Bis-PEG13-PFP ester1383567-59-6(2,3,4,5,6-pentafluorophenyl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-oxo-3-(2,3,4,5,6-pentafluorophenoxy)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoateBIS(2,3,4,5,6-PENTAFLUOROPHENYL) 4,7,10,13,16,19,22,25,28,31,34,37,40-TRIDECAOXATRITETRACONTANEDIOATE13-PFP EsterBis-dPEG(R)13-PFP esterorb1988617DPG-5896C42H56F10O17MFCD20926400AKOS030213636GS-9518
Show more names
PFP-OOCCH2CH2O-PEG12-CH2CH2COO-PFP4,7,10,13,16,19,22,25,28,31,34,37,40-Tridecaoxatritetracontanedioic acid, 1,43-bis(2,3,4,5,6-pentafluorophenyl) ester
BP-20447DA-71548HY-141256CS-0115450G92589T17618Bis(perfluorophenyl) 4,7,10,13,16,19,22,25,28,31,34,37,40-tridecaoxatritetracontanedioate
Database identifiers
- CAS
1383567-59-6
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 173 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 27
- Rotatable bonds
- 46
- Heavy atoms
- 69
- Formal charge
- 0
- Complexity
- 1,150
Physicochemical properties
- Boiling point
- 817.3 · 817.3±65.0 °C(Predicted)
- Density
- 1.312 · 1.312±0.06 g/cm3(Predicted)
- solubility
- Soluble in DMSO, DCM, DMF
Chemistry & industry
Applications
DescriptionBis-PEG13-PFP ester is a PEG linker with two activated PFP ester moieties. PFP esters can react with amine groups to form amide bonds. They are also less susceptible to undergo hydrolysis compared to other amine reactive groups. The hydrophilic PEG linker increase the water solubility of the compond in aqueous media.
UsesBis-PEG13-PFP ester is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
Related reactions
0 records
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Compound notes
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